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<rdf:li rdf:resource="https://www.mdpi.com/2073-4352/14/11/915" /> </rdf:Seq> </items> <cc:license rdf:resource="https://creativecommons.org/licenses/by/4.0/" /> </channel> <item rdf:about="https://www.mdpi.com/2073-4352/14/12/1014"> <title>Crystals, Vol. 14, Pages 1014: Telecom O-Band Quantum Dots Fabricated by Droplet Etching</title> <link>https://www.mdpi.com/2073-4352/14/12/1014</link> <description>We present a novel growth technique for fabricating low-density InAs/GaAs quantum dots that emit in the telecom O-band. This method combines local droplet etching on GaAs surfaces using gallium with Stranski&amp;amp;ndash;Krastanov growth initiated by InAs deposition. Quantum dots nucleate directly within nanoholes, avoiding the critical layer thickness typical of standard InAs Stranski&amp;amp;ndash;Krastanov growth, resulting in larger, low-density quantum dots. InGaAs strain reduction layers further redshift the emission into and beyond the telecom O-band. Photoluminescence spectra show a small energy difference between ground and excited states, while capacitance-voltage spectroscopy reveal small Coulomb blockade energy. Atomic force microscopy analysis indicates that quantum dots formed within nanoholes exhibit a larger volume compared to standard quantum dots. Additionally, these nanohole nucleated quantum dots require less indium to achieve O-band emission and demonstrate comparable or even better homogeneity, as indicated by the full-width at half-maximum. This improved homogeneity, low density, and increased size make these quantum dots particularly suitable for single-photon sources in quantum communication applications.</description> <pubDate>2024-11-22</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1014: Telecom O-Band Quantum Dots Fabricated by Droplet Etching</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/12/1014">doi: 10.3390/cryst14121014</a></p> <p>Authors: Nikolai Spitzer Elias Kersting Meret Grell Danial Kohminaei Marcel Schmidt Nikolai Bart Andreas D. Wieck Arne Ludwig </p> <p>We present a novel growth technique for fabricating low-density InAs/GaAs quantum dots that emit in the telecom O-band. This method combines local droplet etching on GaAs surfaces using gallium with Stranski&amp;amp;ndash;Krastanov growth initiated by InAs deposition. Quantum dots nucleate directly within nanoholes, avoiding the critical layer thickness typical of standard InAs Stranski&amp;amp;ndash;Krastanov growth, resulting in larger, low-density quantum dots. InGaAs strain reduction layers further redshift the emission into and beyond the telecom O-band. Photoluminescence spectra show a small energy difference between ground and excited states, while capacitance-voltage spectroscopy reveal small Coulomb blockade energy. Atomic force microscopy analysis indicates that quantum dots formed within nanoholes exhibit a larger volume compared to standard quantum dots. Additionally, these nanohole nucleated quantum dots require less indium to achieve O-band emission and demonstrate comparable or even better homogeneity, as indicated by the full-width at half-maximum. This improved homogeneity, low density, and increased size make these quantum dots particularly suitable for single-photon sources in quantum communication applications.</p> ]]></content:encoded> <dc:title>Telecom O-Band Quantum Dots Fabricated by Droplet Etching</dc:title> <dc:creator>Nikolai Spitzer</dc:creator> <dc:creator>Elias Kersting</dc:creator> <dc:creator>Meret Grell</dc:creator> <dc:creator>Danial Kohminaei</dc:creator> <dc:creator>Marcel Schmidt</dc:creator> <dc:creator>Nikolai Bart</dc:creator> <dc:creator>Andreas D. Wieck</dc:creator> <dc:creator>Arne Ludwig</dc:creator> <dc:identifier>doi: 10.3390/cryst14121014</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-22</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-22</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>12</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1014</prism:startingPage> <prism:doi>10.3390/cryst14121014</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/12/1014</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/12/1013"> <title>Crystals, Vol. 14, Pages 1013: Novel Alternative Ni-Based Binder Systems for Hardmetals</title> <link>https://www.mdpi.com/2073-4352/14/12/1013</link> <description>WC-Ni hardmetals, especially with the addition of Cr, are the first choice for wear parts in a corrosive environment. Despite Ni being studied as a metallic binder matrix in hardmetals for as long as Co, the mechanical properties achieved have consistently fallen behind those of their cobalt-containing counterparts. Due to the rapidly increasing demand for Co, its substitution is of increasing importance. In this study, various alloying elements that do not form strong carbides were systematically investigated as part of a binary Ni-based binder system for hardmetals. Solid and liquid phase sintering were compared by using field assisted sintering and a conventional SinterHIP furnace. The obtained hardmetals were analysed in terms of their microstructure, phases, sintering behaviour, and mechanical properties. The metals manganese, iron, and copper, as well as the metalloids silicon and germanium, were evaluated as additional binder constituents. Hardmetals with a binary Ni-based binder alloy were successfully prepared. The combination with Mn or Si showed the potential to significantly lower the necessary sintering temperature. In particular, Mn proved to be the most effective grain growth inhibitor among the investigated alloying elements.</description> <pubDate>2024-11-22</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1013: Novel Alternative Ni-Based Binder Systems for Hardmetals</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/12/1013">doi: 10.3390/cryst14121013</a></p> <p>Authors: Mathias von Spalden Johannes P枚tschke Alexander Michaelis </p> <p>WC-Ni hardmetals, especially with the addition of Cr, are the first choice for wear parts in a corrosive environment. Despite Ni being studied as a metallic binder matrix in hardmetals for as long as Co, the mechanical properties achieved have consistently fallen behind those of their cobalt-containing counterparts. Due to the rapidly increasing demand for Co, its substitution is of increasing importance. In this study, various alloying elements that do not form strong carbides were systematically investigated as part of a binary Ni-based binder system for hardmetals. Solid and liquid phase sintering were compared by using field assisted sintering and a conventional SinterHIP furnace. The obtained hardmetals were analysed in terms of their microstructure, phases, sintering behaviour, and mechanical properties. The metals manganese, iron, and copper, as well as the metalloids silicon and germanium, were evaluated as additional binder constituents. Hardmetals with a binary Ni-based binder alloy were successfully prepared. The combination with Mn or Si showed the potential to significantly lower the necessary sintering temperature. In particular, Mn proved to be the most effective grain growth inhibitor among the investigated alloying elements.</p> ]]></content:encoded> <dc:title>Novel Alternative Ni-Based Binder Systems for Hardmetals</dc:title> <dc:creator>Mathias von Spalden</dc:creator> <dc:creator>Johannes P枚tschke</dc:creator> <dc:creator>Alexander Michaelis</dc:creator> <dc:identifier>doi: 10.3390/cryst14121013</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-22</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-22</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>12</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1013</prism:startingPage> <prism:doi>10.3390/cryst14121013</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/12/1013</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/12/1012"> <title>Crystals, Vol. 14, Pages 1012: Application of Serial Crystallography for Merging Incomplete Macromolecular Crystallography Datasets</title> <link>https://www.mdpi.com/2073-4352/14/12/1012</link> <description>In macromolecular crystallography (MX), a complete diffraction dataset is essential for determining the three-dimensional structure. However, collecting a complete experimental dataset using a single crystal is frequently unsuccessful due to poor crystal quality or radiation damage, resulting in the collection of multiple incomplete datasets. This issue can be solved by merging incomplete diffraction datasets to generate a complete dataset. This study introduced a new approach for merging incomplete datasets from MX to generate a complete dataset using serial crystallography (SX). Six incomplete diffraction datasets of &amp;amp;beta;-glucosidase from Thermoanaerobacterium saccharolyticum (TsaBgl) were processed using CrystFEL, an SX program. The statistics of the merged data, such as completeness, CC, CC*, Rsplit, Rwork, and Rfree, demonstrated a complete dataset, indicating improved quality compared with the incomplete datasets and enabling structural determination. Also, the merging of the incomplete datasets was processed using four different indexing algorithms, and their statistics were compared. In conclusion, this approach for generating a complete dataset using SX will provide a new opportunity for determining the crystal structure of macromolecules using multiple incomplete MX datasets.</description> <pubDate>2024-11-22</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1012: Application of Serial Crystallography for Merging Incomplete Macromolecular Crystallography Datasets</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/12/1012">doi: 10.3390/cryst14121012</a></p> <p>Authors: Ki Hyun Nam </p> <p>In macromolecular crystallography (MX), a complete diffraction dataset is essential for determining the three-dimensional structure. However, collecting a complete experimental dataset using a single crystal is frequently unsuccessful due to poor crystal quality or radiation damage, resulting in the collection of multiple incomplete datasets. This issue can be solved by merging incomplete diffraction datasets to generate a complete dataset. This study introduced a new approach for merging incomplete datasets from MX to generate a complete dataset using serial crystallography (SX). Six incomplete diffraction datasets of &amp;amp;beta;-glucosidase from Thermoanaerobacterium saccharolyticum (TsaBgl) were processed using CrystFEL, an SX program. The statistics of the merged data, such as completeness, CC, CC*, Rsplit, Rwork, and Rfree, demonstrated a complete dataset, indicating improved quality compared with the incomplete datasets and enabling structural determination. Also, the merging of the incomplete datasets was processed using four different indexing algorithms, and their statistics were compared. In conclusion, this approach for generating a complete dataset using SX will provide a new opportunity for determining the crystal structure of macromolecules using multiple incomplete MX datasets.</p> ]]></content:encoded> <dc:title>Application of Serial Crystallography for Merging Incomplete Macromolecular Crystallography Datasets</dc:title> <dc:creator>Ki Hyun Nam</dc:creator> <dc:identifier>doi: 10.3390/cryst14121012</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-22</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-22</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>12</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1012</prism:startingPage> <prism:doi>10.3390/cryst14121012</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/12/1012</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/12/1011"> <title>Crystals, Vol. 14, Pages 1011: Microstructural and Mechanical Properties of Dissimilar AA7075 and AA2024 Rotary Friction Weldments</title> <link>https://www.mdpi.com/2073-4352/14/12/1011</link> <description>This study aims to explore the effects of various pre- and post-weld heat treatments (PWHTs) on the microstructural and mechanical properties of dissimilar aluminium alloys, namely AA7075 and AA2024, joined through rotary friction welding. The joints were rigorously evaluated through multiple characterization methods, revealing no signs of cracking or incomplete bonding. This study observed that dissimilar joints between AA7075 and AA2024 alloys showed increased flash formation on the AA7075 side due to its lower melting point relative to the AA2024 alloy. Various zones within the weld region were identified, such as the dynamic recrystallized zone (DRZ), the thermo-mechanically affected zone (TMAZ)&amp;amp;mdash;which includes TMAZ-1 with elongated grains and TMAZ-2 with compressed or distorted grains&amp;amp;mdash;the heat-affected zone (HAZ), and the base metal (BM) zone. Of all the welding conditions examined, the post-weld heat-treated (PWHT) AA2024/AA7075 joint produced by rotary friction welding showed the highest strength, with a yield strength (YS) of 305 &amp;amp;plusmn; 2 MPa and an ultimate tensile strength (UTS) of 477 &amp;amp;plusmn; 3 MPa. This improvement in strength can be attributed to the significant strengthening precipitates of MgZn2 (found on the AA7075 side), &amp;amp;theta;-Al2Cu, and S-Al2CuMg (found on the AA2204 side) formed during post-weld ageing. Notably, all dissimilar welds failed in the HAZ region on the AA2024 side due to coarse grain formation, identifying this as the weakest area.</description> <pubDate>2024-11-21</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1011: Microstructural and Mechanical Properties of Dissimilar AA7075 and AA2024 Rotary Friction Weldments</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/12/1011">doi: 10.3390/cryst14121011</a></p> <p>Authors: Sandip Kumar Bauri Nagumothu Kishore Babu Malkapuram Ramakrishna Ateekh Ur Rehman Vanam Jaya Prasad Minnam Reddy Suryanarayana Reddy </p> <p>This study aims to explore the effects of various pre- and post-weld heat treatments (PWHTs) on the microstructural and mechanical properties of dissimilar aluminium alloys, namely AA7075 and AA2024, joined through rotary friction welding. The joints were rigorously evaluated through multiple characterization methods, revealing no signs of cracking or incomplete bonding. This study observed that dissimilar joints between AA7075 and AA2024 alloys showed increased flash formation on the AA7075 side due to its lower melting point relative to the AA2024 alloy. Various zones within the weld region were identified, such as the dynamic recrystallized zone (DRZ), the thermo-mechanically affected zone (TMAZ)&amp;amp;mdash;which includes TMAZ-1 with elongated grains and TMAZ-2 with compressed or distorted grains&amp;amp;mdash;the heat-affected zone (HAZ), and the base metal (BM) zone. Of all the welding conditions examined, the post-weld heat-treated (PWHT) AA2024/AA7075 joint produced by rotary friction welding showed the highest strength, with a yield strength (YS) of 305 &amp;amp;plusmn; 2 MPa and an ultimate tensile strength (UTS) of 477 &amp;amp;plusmn; 3 MPa. This improvement in strength can be attributed to the significant strengthening precipitates of MgZn2 (found on the AA7075 side), &amp;amp;theta;-Al2Cu, and S-Al2CuMg (found on the AA2204 side) formed during post-weld ageing. Notably, all dissimilar welds failed in the HAZ region on the AA2024 side due to coarse grain formation, identifying this as the weakest area.</p> ]]></content:encoded> <dc:title>Microstructural and Mechanical Properties of Dissimilar AA7075 and AA2024 Rotary Friction Weldments</dc:title> <dc:creator>Sandip Kumar Bauri</dc:creator> <dc:creator>Nagumothu Kishore Babu</dc:creator> <dc:creator>Malkapuram Ramakrishna</dc:creator> <dc:creator>Ateekh Ur Rehman</dc:creator> <dc:creator>Vanam Jaya Prasad</dc:creator> <dc:creator>Minnam Reddy Suryanarayana Reddy</dc:creator> <dc:identifier>doi: 10.3390/cryst14121011</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-21</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-21</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>12</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1011</prism:startingPage> <prism:doi>10.3390/cryst14121011</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/12/1011</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/12/1010"> <title>Crystals, Vol. 14, Pages 1010: Revealing the Relationship Between Macrostructures and Inclusions Across the Thickness Direction of Q235B Slabs</title> <link>https://www.mdpi.com/2073-4352/14/12/1010</link> <description>Macrostructures and inclusions are both vital for slabs because the quality of slabs is largely affected by them. However, the relationship between macrostructures and inclusions in the thickness direction of the slab is still unclear. Hence, in this paper, the relationship between macrostructures and inclusions was revealed by laboratory experiments and theoretical calculations. The laboratory experiments included carbon and sulfur content testing, direct reading spectroscopy, scanning electron microscopy, and automatic inclusion scanning. The experimental results showed that the distribution of macrostructures was symmetrical from the inner and outer arc to the center. From the edge to the center of the slab, the variation in macrostructures was columnar crystal zone (CZ)&amp;amp;rarr;columnar-to-equiaxed transition (CET)&amp;amp;rarr;equiaxed crystal zone (EZ). Furthermore, the content of sulfur and manganese first decreased and then increased from the inner arc to the outer arc. The number density and area fraction of MnS inclusions in different macrostructures were CZ &amp;amp;gt; CET &amp;amp;gt; EZ. The average size of MnS in different macrostructures was CZ &amp;amp;gt; EZ &amp;amp;gt; CET. Moreover, the morphology of MnS inclusions was ellipse and rod in CZ, irregular dendrite in CET, and multilateral in EZ. Additionally, theoretical calculation results showed the maximum precipitation and initial precipitation temperature of MnS inclusions in different macrostructures were CZ &amp;amp;gt; EZ &amp;amp;gt; CET. Meanwhile, the theoretical precipitation radius of MnS inclusions in different macrostructures was CZ &amp;amp;gt; EZ &amp;amp;gt; CET.</description> <pubDate>2024-11-21</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1010: Revealing the Relationship Between Macrostructures and Inclusions Across the Thickness Direction of Q235B Slabs</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/12/1010">doi: 10.3390/cryst14121010</a></p> <p>Authors: Bo Wang Jinwen Jin Chao Gu Ze Wei Ziyu Lyu Lidong Xing Yanping Bao </p> <p>Macrostructures and inclusions are both vital for slabs because the quality of slabs is largely affected by them. However, the relationship between macrostructures and inclusions in the thickness direction of the slab is still unclear. Hence, in this paper, the relationship between macrostructures and inclusions was revealed by laboratory experiments and theoretical calculations. The laboratory experiments included carbon and sulfur content testing, direct reading spectroscopy, scanning electron microscopy, and automatic inclusion scanning. The experimental results showed that the distribution of macrostructures was symmetrical from the inner and outer arc to the center. From the edge to the center of the slab, the variation in macrostructures was columnar crystal zone (CZ)&amp;amp;rarr;columnar-to-equiaxed transition (CET)&amp;amp;rarr;equiaxed crystal zone (EZ). Furthermore, the content of sulfur and manganese first decreased and then increased from the inner arc to the outer arc. The number density and area fraction of MnS inclusions in different macrostructures were CZ &amp;amp;gt; CET &amp;amp;gt; EZ. The average size of MnS in different macrostructures was CZ &amp;amp;gt; EZ &amp;amp;gt; CET. Moreover, the morphology of MnS inclusions was ellipse and rod in CZ, irregular dendrite in CET, and multilateral in EZ. Additionally, theoretical calculation results showed the maximum precipitation and initial precipitation temperature of MnS inclusions in different macrostructures were CZ &amp;amp;gt; EZ &amp;amp;gt; CET. Meanwhile, the theoretical precipitation radius of MnS inclusions in different macrostructures was CZ &amp;amp;gt; EZ &amp;amp;gt; CET.</p> ]]></content:encoded> <dc:title>Revealing the Relationship Between Macrostructures and Inclusions Across the Thickness Direction of Q235B Slabs</dc:title> <dc:creator>Bo Wang</dc:creator> <dc:creator>Jinwen Jin</dc:creator> <dc:creator>Chao Gu</dc:creator> <dc:creator>Ze Wei</dc:creator> <dc:creator>Ziyu Lyu</dc:creator> <dc:creator>Lidong Xing</dc:creator> <dc:creator>Yanping Bao</dc:creator> <dc:identifier>doi: 10.3390/cryst14121010</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-21</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-21</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>12</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1010</prism:startingPage> <prism:doi>10.3390/cryst14121010</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/12/1010</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/12/1009"> <title>Crystals, Vol. 14, Pages 1009: In Situ Microscopy with Real-Time Image Analysis Enables Online Monitoring of Technical Protein Crystallization Kinetics in Stirred Crystallizers</title> <link>https://www.mdpi.com/2073-4352/14/12/1009</link> <description>Controlling protein crystallization processes is essential for improving downstream processing in biotechnology. This study investigates the combination of machine learning-based image analysis and in situ microscopy for real-time monitoring of protein crystallization kinetics. The experimental research is focused on the batch crystallization of an alcohol dehydrogenase from Lactobacillus brevis (LbADH) and two selected rational crystal contact mutants. Technical protein crystallization experiments were performed in a 1 L stirred crystallizer by adding polyethyleneglycol 550 monomethyl ether (PEG 550 MME). The estimated crystal volumes from online microscopy correlated well with the offline measured protein concentrations in solution. In addition, in situ microscopy was superior to offline data if amorphous protein precipitation occurred. Real-time image analysis provides the data basis for online estimation of important batch crystallization performance indicators like yield, crystallization kinetics, crystal size distributions, and number of protein crystals. Surprisingly, one of the LbADH mutants, which should theoretically crystallize more slowly than the wild type based on molecular dynamics (MD) simulations, showed better crystallization performance except for the yield. Thus, online monitoring of scalable protein crystallization processes with in situ microscopy and real-time image analysis improves the precision of crystallization studies for industrial settings by providing comprehensive data, reducing the limitations of traditional analytical techniques, and enabling new insights into protein crystallization process dynamics.</description> <pubDate>2024-11-21</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1009: In Situ Microscopy with Real-Time Image Analysis Enables Online Monitoring of Technical Protein Crystallization Kinetics in Stirred Crystallizers</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/12/1009">doi: 10.3390/cryst14121009</a></p> <p>Authors: Julian Mentges Daniel Bischoff Brigitte Walla Dirk Weuster-Botz </p> <p>Controlling protein crystallization processes is essential for improving downstream processing in biotechnology. This study investigates the combination of machine learning-based image analysis and in situ microscopy for real-time monitoring of protein crystallization kinetics. The experimental research is focused on the batch crystallization of an alcohol dehydrogenase from Lactobacillus brevis (LbADH) and two selected rational crystal contact mutants. Technical protein crystallization experiments were performed in a 1 L stirred crystallizer by adding polyethyleneglycol 550 monomethyl ether (PEG 550 MME). The estimated crystal volumes from online microscopy correlated well with the offline measured protein concentrations in solution. In addition, in situ microscopy was superior to offline data if amorphous protein precipitation occurred. Real-time image analysis provides the data basis for online estimation of important batch crystallization performance indicators like yield, crystallization kinetics, crystal size distributions, and number of protein crystals. Surprisingly, one of the LbADH mutants, which should theoretically crystallize more slowly than the wild type based on molecular dynamics (MD) simulations, showed better crystallization performance except for the yield. Thus, online monitoring of scalable protein crystallization processes with in situ microscopy and real-time image analysis improves the precision of crystallization studies for industrial settings by providing comprehensive data, reducing the limitations of traditional analytical techniques, and enabling new insights into protein crystallization process dynamics.</p> ]]></content:encoded> <dc:title>In Situ Microscopy with Real-Time Image Analysis Enables Online Monitoring of Technical Protein Crystallization Kinetics in Stirred Crystallizers</dc:title> <dc:creator>Julian Mentges</dc:creator> <dc:creator>Daniel Bischoff</dc:creator> <dc:creator>Brigitte Walla</dc:creator> <dc:creator>Dirk Weuster-Botz</dc:creator> <dc:identifier>doi: 10.3390/cryst14121009</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-21</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-21</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>12</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1009</prism:startingPage> <prism:doi>10.3390/cryst14121009</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/12/1009</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/12/1008"> <title>Crystals, Vol. 14, Pages 1008: Highly Sensitive SnS2/rGO-Based Gas Sensor for Detecting Chemical Warfare Agents at Room Temperature: A Theoretical Study Based on First-Principles Calculations</title> <link>https://www.mdpi.com/2073-4352/14/12/1008</link> <description>Chemical warfare agents (CWAs) are known as poor man&amp;amp;rsquo;s bombs because of their small lethal dose, cheapness, and ease of production. Therefore, the highly sensitive and rapid detection of CWAs at room temperature (RT = 25 &amp;amp;deg;C) is essential. In this paper, we have developed a resistive semiconductor sensor for the highly sensitive detection of CWAs at RT. The gas-sensing material is SnS2/rGO nanosheets (NSs) prepared by hydrothermal synthesis. The lower detection limits of the SnS2/rGO NSs-based gas sensor were 0.05 mg/m3 and 0.1 mg/m3 for the typical chemical weapons sarin (GB) and sulfur mustard (HD), respectively. The responsivity can reach &amp;amp;minus;3.54% and &amp;amp;minus;10.2% in 95 s for 1.0 mg/m3 GB, and in 47 s for 1.0 mg/m3 HD. They are 1.17 and 2.71 times higher than the previously reported Nb-MoS2 NSs-based gas sensors, respectively. In addition, it has better repeatability (RSD = 6.77%) and stability for up to 10 weeks (RSD = 20.99%). Furthermore, to simplify the work of later researchers based on the detection of CWAs by two-dimensional transition metal sulfur compounds (2D-TMDCs), we carried out calculations of the SnS2 NSs-based and SnS2/rGO NSs-based gas sensor-adsorbing CWAs. Detailed comparisons are made in conjunction with experimental results. For different materials, it was found that the SnS2/rGO NSs-based gas sensor performed better in all aspects of adsorbing CWAs in the experimental results. Adsorbed CWAs at a distance smaller than that of the SnS2 NSs-based gas sensor in the theoretical calculations, as well as its adsorption energy and transferred charge, were larger than those of the SnS2 NSs-based gas sensor. For different CWAs, the experimental results show that the sensitivity of the SnS2/rGO NSs-based gas sensor for the adsorption of GB is higher than that of HD, and accordingly, the theoretical calculations show that the adsorption distance of the SnS2/rGO NSs-based gas sensor for the adsorption of GB is smaller than that of HD, and the adsorption energy and the amount of transferred charge are larger than that of HD. This regularity conclusion proves the feasibility of adsorption of CWAs by gas sensors based on SnS2 NSs, as well as the feasibility and reliability of theoretical prediction experiments. This work lays a good theoretical foundation for subsequent rapid screenings of gas sensors with gas-sensitive materials for detecting CWAs.</description> <pubDate>2024-11-21</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1008: Highly Sensitive SnS2/rGO-Based Gas Sensor for Detecting Chemical Warfare Agents at Room Temperature: A Theoretical Study Based on First-Principles Calculations</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/12/1008">doi: 10.3390/cryst14121008</a></p> <p>Authors: Ting Liang Huaizhang Wang Huaning Jiang Yelin Qi Rui Yan Jiangcun Li Yanlei Shangguan </p> <p>Chemical warfare agents (CWAs) are known as poor man&amp;amp;rsquo;s bombs because of their small lethal dose, cheapness, and ease of production. Therefore, the highly sensitive and rapid detection of CWAs at room temperature (RT = 25 &amp;amp;deg;C) is essential. In this paper, we have developed a resistive semiconductor sensor for the highly sensitive detection of CWAs at RT. The gas-sensing material is SnS2/rGO nanosheets (NSs) prepared by hydrothermal synthesis. The lower detection limits of the SnS2/rGO NSs-based gas sensor were 0.05 mg/m3 and 0.1 mg/m3 for the typical chemical weapons sarin (GB) and sulfur mustard (HD), respectively. The responsivity can reach &amp;amp;minus;3.54% and &amp;amp;minus;10.2% in 95 s for 1.0 mg/m3 GB, and in 47 s for 1.0 mg/m3 HD. They are 1.17 and 2.71 times higher than the previously reported Nb-MoS2 NSs-based gas sensors, respectively. In addition, it has better repeatability (RSD = 6.77%) and stability for up to 10 weeks (RSD = 20.99%). Furthermore, to simplify the work of later researchers based on the detection of CWAs by two-dimensional transition metal sulfur compounds (2D-TMDCs), we carried out calculations of the SnS2 NSs-based and SnS2/rGO NSs-based gas sensor-adsorbing CWAs. Detailed comparisons are made in conjunction with experimental results. For different materials, it was found that the SnS2/rGO NSs-based gas sensor performed better in all aspects of adsorbing CWAs in the experimental results. Adsorbed CWAs at a distance smaller than that of the SnS2 NSs-based gas sensor in the theoretical calculations, as well as its adsorption energy and transferred charge, were larger than those of the SnS2 NSs-based gas sensor. For different CWAs, the experimental results show that the sensitivity of the SnS2/rGO NSs-based gas sensor for the adsorption of GB is higher than that of HD, and accordingly, the theoretical calculations show that the adsorption distance of the SnS2/rGO NSs-based gas sensor for the adsorption of GB is smaller than that of HD, and the adsorption energy and the amount of transferred charge are larger than that of HD. This regularity conclusion proves the feasibility of adsorption of CWAs by gas sensors based on SnS2 NSs, as well as the feasibility and reliability of theoretical prediction experiments. This work lays a good theoretical foundation for subsequent rapid screenings of gas sensors with gas-sensitive materials for detecting CWAs.</p> ]]></content:encoded> <dc:title>Highly Sensitive SnS2/rGO-Based Gas Sensor for Detecting Chemical Warfare Agents at Room Temperature: A Theoretical Study Based on First-Principles Calculations</dc:title> <dc:creator>Ting Liang</dc:creator> <dc:creator>Huaizhang Wang</dc:creator> <dc:creator>Huaning Jiang</dc:creator> <dc:creator>Yelin Qi</dc:creator> <dc:creator>Rui Yan</dc:creator> <dc:creator>Jiangcun Li</dc:creator> <dc:creator>Yanlei Shangguan</dc:creator> <dc:identifier>doi: 10.3390/cryst14121008</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-21</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-21</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>12</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1008</prism:startingPage> <prism:doi>10.3390/cryst14121008</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/12/1008</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/12/1007"> <title>Crystals, Vol. 14, Pages 1007: Experimental Investigation and Machine Learning Modeling of Tribological Characteristics of AZ31/B4C/GNPs Hybrid Composites</title> <link>https://www.mdpi.com/2073-4352/14/12/1007</link> <description>In this study, the AZ31 hybrid composites reinforced with boron carbide (B4C) and graphene nano-platelets (GNPs) are prepared by the stir casting method. The main aim of the study is to study the effect of various wear parameters (reinforcement percentage (R), applied load (L), sliding distance (D), and velocity (V)) on the wear characteristics (wear rate (WR)) of the AZ91/B4C/GNP composites. Experiments are designed using the Taguchi technique, and it was determined that load (L) is the most significant parameter affecting WR, followed by D, R, and V. The wear mechanisms under conditions of maximum and minimum wear rates are examined using SEM analysis of the worn-out surfaces of the specimens. From the result analysis on the WR, the ideal conditions for achieving the lowest WR are R = 4 wt.%, L = 15 N, V = 3 m/s, and D = 500 m. Machine learning (ML) models, including linear regression (LR), polynomial regression (PR), random forest (RF), and Gaussian process regression (GPR), are implemented to develop a reliable prediction model that forecasts output responses in accordance with input variables. A total of 90% of the experimental data points were used to train and 10% to evaluate the models. The PR model exceeded the accuracy of other models in predicting WR, with R2 = 0.953, MSE = 0.011, RMSE = 0.103, and COF with R2 = 0.937, MSE = 0.013, and RMSE = 0.114, respectively.</description> <pubDate>2024-11-21</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1007: Experimental Investigation and Machine Learning Modeling of Tribological Characteristics of AZ31/B4C/GNPs Hybrid Composites</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/12/1007">doi: 10.3390/cryst14121007</a></p> <p>Authors: Dhanunjay Kumar Ammisetti Bharat Kumar Chigilipalli Baburao Gaddala Ravi Kumar Kottala Radhamanohar Aepuru T. Srinivasa Rao Seepana Praveenkumar Ravinder Kumar </p> <p>In this study, the AZ31 hybrid composites reinforced with boron carbide (B4C) and graphene nano-platelets (GNPs) are prepared by the stir casting method. The main aim of the study is to study the effect of various wear parameters (reinforcement percentage (R), applied load (L), sliding distance (D), and velocity (V)) on the wear characteristics (wear rate (WR)) of the AZ91/B4C/GNP composites. Experiments are designed using the Taguchi technique, and it was determined that load (L) is the most significant parameter affecting WR, followed by D, R, and V. The wear mechanisms under conditions of maximum and minimum wear rates are examined using SEM analysis of the worn-out surfaces of the specimens. From the result analysis on the WR, the ideal conditions for achieving the lowest WR are R = 4 wt.%, L = 15 N, V = 3 m/s, and D = 500 m. Machine learning (ML) models, including linear regression (LR), polynomial regression (PR), random forest (RF), and Gaussian process regression (GPR), are implemented to develop a reliable prediction model that forecasts output responses in accordance with input variables. A total of 90% of the experimental data points were used to train and 10% to evaluate the models. The PR model exceeded the accuracy of other models in predicting WR, with R2 = 0.953, MSE = 0.011, RMSE = 0.103, and COF with R2 = 0.937, MSE = 0.013, and RMSE = 0.114, respectively.</p> ]]></content:encoded> <dc:title>Experimental Investigation and Machine Learning Modeling of Tribological Characteristics of AZ31/B4C/GNPs Hybrid Composites</dc:title> <dc:creator>Dhanunjay Kumar Ammisetti</dc:creator> <dc:creator>Bharat Kumar Chigilipalli</dc:creator> <dc:creator>Baburao Gaddala</dc:creator> <dc:creator>Ravi Kumar Kottala</dc:creator> <dc:creator>Radhamanohar Aepuru</dc:creator> <dc:creator>T. Srinivasa Rao</dc:creator> <dc:creator>Seepana Praveenkumar</dc:creator> <dc:creator>Ravinder Kumar</dc:creator> <dc:identifier>doi: 10.3390/cryst14121007</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-21</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-21</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>12</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1007</prism:startingPage> <prism:doi>10.3390/cryst14121007</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/12/1007</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/1006"> <title>Crystals, Vol. 14, Pages 1006: Pressure-Induced Structural Phase Transition and Fluorescence Enhancement of Double Perovskite Material Cs2NaHoCl6</title> <link>https://www.mdpi.com/2073-4352/14/11/1006</link> <description>Cs2NaHoCl6, a double perovskite material, has demonstrated extensive application potential in the fields of anti-counterfeiting and optoelectronics. The synthesis of Cs2NaHoCl6 crystals was achieved using a hydrothermal method, followed by the determination of their crystal structures through single crystal X-ray diffraction techniques. The material exhibits bright red fluorescence when exposed to ultraviolet light, confirming its excellent optical properties. An in situ high-pressure fluorescence experiment was conducted on Cs2NaHoCl6 up to 10 GPa at room temperature. The results indicate that the material possibly undergoes a structural phase transition within the pressure range of 6.9&amp;amp;ndash;7.9 GPa, which is accompanied by a significant enhancement in fluorescence. Geometric optimization based on density functional theory (DFT) revealed a significant decrease in the bond lengths and crystal volumes of Ho-Cl and Na-Cl across the predicted phase transition range. Furthermore, it was observed that the bond lengths of Na-Cl and Ho-Cl reach an equivalent state within this phase transition interval. The alteration in bond length may modify the local crystal field strength surrounding Ho3+, consequently affecting its electronic transition energy levels. This could be the primary factor contributing to the structural phase transition.</description> <pubDate>2024-11-20</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1006: Pressure-Induced Structural Phase Transition and Fluorescence Enhancement of Double Perovskite Material Cs2NaHoCl6</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/1006">doi: 10.3390/cryst14111006</a></p> <p>Authors: Tingting Yan Linan Liu Dongyang Xi Lei Sun Dinghan Jin Han Li </p> <p>Cs2NaHoCl6, a double perovskite material, has demonstrated extensive application potential in the fields of anti-counterfeiting and optoelectronics. The synthesis of Cs2NaHoCl6 crystals was achieved using a hydrothermal method, followed by the determination of their crystal structures through single crystal X-ray diffraction techniques. The material exhibits bright red fluorescence when exposed to ultraviolet light, confirming its excellent optical properties. An in situ high-pressure fluorescence experiment was conducted on Cs2NaHoCl6 up to 10 GPa at room temperature. The results indicate that the material possibly undergoes a structural phase transition within the pressure range of 6.9&amp;amp;ndash;7.9 GPa, which is accompanied by a significant enhancement in fluorescence. Geometric optimization based on density functional theory (DFT) revealed a significant decrease in the bond lengths and crystal volumes of Ho-Cl and Na-Cl across the predicted phase transition range. Furthermore, it was observed that the bond lengths of Na-Cl and Ho-Cl reach an equivalent state within this phase transition interval. The alteration in bond length may modify the local crystal field strength surrounding Ho3+, consequently affecting its electronic transition energy levels. This could be the primary factor contributing to the structural phase transition.</p> ]]></content:encoded> <dc:title>Pressure-Induced Structural Phase Transition and Fluorescence Enhancement of Double Perovskite Material Cs2NaHoCl6</dc:title> <dc:creator>Tingting Yan</dc:creator> <dc:creator>Linan Liu</dc:creator> <dc:creator>Dongyang Xi</dc:creator> <dc:creator>Lei Sun</dc:creator> <dc:creator>Dinghan Jin</dc:creator> <dc:creator>Han Li</dc:creator> <dc:identifier>doi: 10.3390/cryst14111006</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-20</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-20</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1006</prism:startingPage> <prism:doi>10.3390/cryst14111006</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/1006</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/1005"> <title>Crystals, Vol. 14, Pages 1005: Influence of Mechanical Activation on the Evolution of TiSiCN Powders for Reactive Plasma Spraying</title> <link>https://www.mdpi.com/2073-4352/14/11/1005</link> <description>In modern materials science and surface engineering, reactive plasma spraying (RPS) holds a key position due to its ability to create high-quality coatings with unique properties. The effectiveness of this process is largely determined by the physicochemical characteristics of the initial powder materials. This study examines the effects of mechanical activation for two compositions in the TiSiCN system and their impact on the quality and performance characteristics of RPS-produced coatings. It is shown that mechanical activation induces significant changes in the crystalline structure of the powders, reducing their particle size and increasing their specific surface area, thereby enhancing the reactivity of the materials during mechanochemical reactions. These changes contribute to the formation of dense and durable coatings with improved hardness and thermal stability. Thermogravimetric analysis (TGA) results confirm that the powders retain stable thermal properties and exhibit resistance to oxidation and decomposition. X-ray structural analysis reveals multiphase structures, including TiC, SiC, and TiCN, with the TiCN phase playing a key role in ensuring coating hardness. Additionally, SEM analysis showed that the TiSiCN-2-2 coating possesses a denser and more homogeneous structure with minimal pores and microcracks, providing superior mechanical strength and wear resistance compared to TiSiCN-1-2. Cross-sectional micrographs further revealed that the TiCN + Si coating has a greater average thickness (39.87 &amp;amp;mu;m) and more uniform distribution compared to Ti + SiC (35.48 &amp;amp;mu;m), indicating better application control and a more homogeneous material structure. Mechanical activation significantly influences the properties of powders, allowing for the determination of optimal parameters for RPS, which is a highly efficient method for creating coatings with unique performance characteristics.</description> <pubDate>2024-11-20</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1005: Influence of Mechanical Activation on the Evolution of TiSiCN Powders for Reactive Plasma Spraying</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/1005">doi: 10.3390/cryst14111005</a></p> <p>Authors: Lazat Baimoldanova Bauyrzhan Rakhadilov Aidar Kengesbekov Rashid Kuanyshbai </p> <p>In modern materials science and surface engineering, reactive plasma spraying (RPS) holds a key position due to its ability to create high-quality coatings with unique properties. The effectiveness of this process is largely determined by the physicochemical characteristics of the initial powder materials. This study examines the effects of mechanical activation for two compositions in the TiSiCN system and their impact on the quality and performance characteristics of RPS-produced coatings. It is shown that mechanical activation induces significant changes in the crystalline structure of the powders, reducing their particle size and increasing their specific surface area, thereby enhancing the reactivity of the materials during mechanochemical reactions. These changes contribute to the formation of dense and durable coatings with improved hardness and thermal stability. Thermogravimetric analysis (TGA) results confirm that the powders retain stable thermal properties and exhibit resistance to oxidation and decomposition. X-ray structural analysis reveals multiphase structures, including TiC, SiC, and TiCN, with the TiCN phase playing a key role in ensuring coating hardness. Additionally, SEM analysis showed that the TiSiCN-2-2 coating possesses a denser and more homogeneous structure with minimal pores and microcracks, providing superior mechanical strength and wear resistance compared to TiSiCN-1-2. Cross-sectional micrographs further revealed that the TiCN + Si coating has a greater average thickness (39.87 &amp;amp;mu;m) and more uniform distribution compared to Ti + SiC (35.48 &amp;amp;mu;m), indicating better application control and a more homogeneous material structure. Mechanical activation significantly influences the properties of powders, allowing for the determination of optimal parameters for RPS, which is a highly efficient method for creating coatings with unique performance characteristics.</p> ]]></content:encoded> <dc:title>Influence of Mechanical Activation on the Evolution of TiSiCN Powders for Reactive Plasma Spraying</dc:title> <dc:creator>Lazat Baimoldanova</dc:creator> <dc:creator>Bauyrzhan Rakhadilov</dc:creator> <dc:creator>Aidar Kengesbekov</dc:creator> <dc:creator>Rashid Kuanyshbai</dc:creator> <dc:identifier>doi: 10.3390/cryst14111005</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-20</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-20</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1005</prism:startingPage> <prism:doi>10.3390/cryst14111005</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/1005</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/1004"> <title>Crystals, Vol. 14, Pages 1004: Advances in Green Nanocomposites: Design, Characterization and Applications</title> <link>https://www.mdpi.com/2073-4352/14/11/1004</link> <description>Nowadays, green nanocomposites are gaining interest in different application fields [...]</description> <pubDate>2024-11-20</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1004: Advances in Green Nanocomposites: Design, Characterization and Applications</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/1004">doi: 10.3390/cryst14111004</a></p> <p>Authors: Gianluca Viscusi </p> <p>Nowadays, green nanocomposites are gaining interest in different application fields [...]</p> ]]></content:encoded> <dc:title>Advances in Green Nanocomposites: Design, Characterization and Applications</dc:title> <dc:creator>Gianluca Viscusi</dc:creator> <dc:identifier>doi: 10.3390/cryst14111004</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-20</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-20</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Editorial</prism:section> <prism:startingPage>1004</prism:startingPage> <prism:doi>10.3390/cryst14111004</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/1004</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/1003"> <title>Crystals, Vol. 14, Pages 1003: Unveiling the Bluish Green Chalcedony Aquaprase&amp;trade;&amp;mdash;The Study of Its Microstructure and Mineralogy</title> <link>https://www.mdpi.com/2073-4352/14/11/1003</link> <description>A bluish green chalcedony (a micro to crypto polycrystalline form of silica) from Africa has been marketed with the trademark AQUAPRASETM. A multimethodological approach, combining gemological analyses, thin section examination, scanning electron microscopy, X-ray powder diffraction, Raman spectroscopy, and trace elements chemical analyses by LA&amp;amp;ndash;ICP&amp;amp;ndash;MS, was carried out to characterize this material from a gemological and mineralogical point of view. The chalcedony samples consist of a mixture of quartz and moganite, as shown by the X-ray powder diffraction analysis and Raman spectroscopy. &amp;amp;ldquo;Aquaprase&amp;amp;rdquo; showed a strong microstructural zoning in terms of grain size, from macrocrystalline to micro and crypto, and morphology. Trace element variations correlated well with the different colored areas of the samples. In particular, the main chromophore ion present in the bluish green areas of the &amp;amp;ldquo;aquaprase&amp;amp;rdquo; chalcedony was chromium, followed by iron and nickel, so this chalcedony could be included in the group of chromium-bearing chalcedony. Rayleigh light scattering contributed to the blue hue of the gems.</description> <pubDate>2024-11-19</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1003: Unveiling the Bluish Green Chalcedony Aquaprase&amp;trade;&amp;mdash;The Study of Its Microstructure and Mineralogy</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/1003">doi: 10.3390/cryst14111003</a></p> <p>Authors: Sara Monico Ilaria Adamo Valeria Diella Yianni Melas Loredana Prosperi Nicoletta Marinoni </p> <p>A bluish green chalcedony (a micro to crypto polycrystalline form of silica) from Africa has been marketed with the trademark AQUAPRASETM. A multimethodological approach, combining gemological analyses, thin section examination, scanning electron microscopy, X-ray powder diffraction, Raman spectroscopy, and trace elements chemical analyses by LA&amp;amp;ndash;ICP&amp;amp;ndash;MS, was carried out to characterize this material from a gemological and mineralogical point of view. The chalcedony samples consist of a mixture of quartz and moganite, as shown by the X-ray powder diffraction analysis and Raman spectroscopy. &amp;amp;ldquo;Aquaprase&amp;amp;rdquo; showed a strong microstructural zoning in terms of grain size, from macrocrystalline to micro and crypto, and morphology. Trace element variations correlated well with the different colored areas of the samples. In particular, the main chromophore ion present in the bluish green areas of the &amp;amp;ldquo;aquaprase&amp;amp;rdquo; chalcedony was chromium, followed by iron and nickel, so this chalcedony could be included in the group of chromium-bearing chalcedony. Rayleigh light scattering contributed to the blue hue of the gems.</p> ]]></content:encoded> <dc:title>Unveiling the Bluish Green Chalcedony Aquaprase&amp;amp;trade;&amp;amp;mdash;The Study of Its Microstructure and Mineralogy</dc:title> <dc:creator>Sara Monico</dc:creator> <dc:creator>Ilaria Adamo</dc:creator> <dc:creator>Valeria Diella</dc:creator> <dc:creator>Yianni Melas</dc:creator> <dc:creator>Loredana Prosperi</dc:creator> <dc:creator>Nicoletta Marinoni</dc:creator> <dc:identifier>doi: 10.3390/cryst14111003</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-19</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-19</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1003</prism:startingPage> <prism:doi>10.3390/cryst14111003</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/1003</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/1002"> <title>Crystals, Vol. 14, Pages 1002: Corrosion Inhibition of PAAS/ZnO Complex Additive in Alkaline Al-Air Battery with SLM-Manufactured Anode</title> <link>https://www.mdpi.com/2073-4352/14/11/1002</link> <description>In order to improve the electrochemical activity and discharge performance of aluminum&amp;amp;ndash;air batteries and to reduce self-corrosion of the anode, an SLM-manufactured aluminum alloy was employed as the anode of the Al-air battery, and the influence of PAAS and ZnO inhibitors taken separately or together on the self-corrosion rate and discharge performance of the Al-air battery in a 4 M NaOH solution were investigated. The experimental result indicated that the effect of a composite corrosion inhibitor was stronger than that of a single corrosion inhibitor. The addition of the compound inhibitor not only promoted the activation of the anode but also formed a more stable composite protective film on the surface of the anode, which effectively slowed down the self-corrosion and improved the utilization rate of the anode. In NaOH/PAAS/ZnO electrolytes, the dissolution of the Al6061 alloy was mainly controlled by the diffusion of the electric charge in the corrosion products or the zinc salt deposition layer. Meanwhile, for the Al-air battery, the discharge voltage, specific capacity, and specific energy increased by 21.74%, 26.72%, and 54.20%, respectively. In addition, the inhibition mechanism of the composite corrosion inhibitor was also expounded. The excellent discharge performance was due to the addition of the composite corrosion inhibitor, which promoted the charge transfer of the anode reaction, improved the anode&amp;amp;rsquo;s activity, and promoted the uniform corrosion of the anode. This study provides ideas for the application of aluminum&amp;amp;ndash;air batteries in the field of new energy.</description> <pubDate>2024-11-19</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1002: Corrosion Inhibition of PAAS/ZnO Complex Additive in Alkaline Al-Air Battery with SLM-Manufactured Anode</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/1002">doi: 10.3390/cryst14111002</a></p> <p>Authors: Guangpan Peng Yuankun Geng Chenhao Niu Hanqian Yang Weipeng Duan Shu Cao </p> <p>In order to improve the electrochemical activity and discharge performance of aluminum&amp;amp;ndash;air batteries and to reduce self-corrosion of the anode, an SLM-manufactured aluminum alloy was employed as the anode of the Al-air battery, and the influence of PAAS and ZnO inhibitors taken separately or together on the self-corrosion rate and discharge performance of the Al-air battery in a 4 M NaOH solution were investigated. The experimental result indicated that the effect of a composite corrosion inhibitor was stronger than that of a single corrosion inhibitor. The addition of the compound inhibitor not only promoted the activation of the anode but also formed a more stable composite protective film on the surface of the anode, which effectively slowed down the self-corrosion and improved the utilization rate of the anode. In NaOH/PAAS/ZnO electrolytes, the dissolution of the Al6061 alloy was mainly controlled by the diffusion of the electric charge in the corrosion products or the zinc salt deposition layer. Meanwhile, for the Al-air battery, the discharge voltage, specific capacity, and specific energy increased by 21.74%, 26.72%, and 54.20%, respectively. In addition, the inhibition mechanism of the composite corrosion inhibitor was also expounded. The excellent discharge performance was due to the addition of the composite corrosion inhibitor, which promoted the charge transfer of the anode reaction, improved the anode&amp;amp;rsquo;s activity, and promoted the uniform corrosion of the anode. This study provides ideas for the application of aluminum&amp;amp;ndash;air batteries in the field of new energy.</p> ]]></content:encoded> <dc:title>Corrosion Inhibition of PAAS/ZnO Complex Additive in Alkaline Al-Air Battery with SLM-Manufactured Anode</dc:title> <dc:creator>Guangpan Peng</dc:creator> <dc:creator>Yuankun Geng</dc:creator> <dc:creator>Chenhao Niu</dc:creator> <dc:creator>Hanqian Yang</dc:creator> <dc:creator>Weipeng Duan</dc:creator> <dc:creator>Shu Cao</dc:creator> <dc:identifier>doi: 10.3390/cryst14111002</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-19</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-19</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1002</prism:startingPage> <prism:doi>10.3390/cryst14111002</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/1002</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/1001"> <title>Crystals, Vol. 14, Pages 1001: The Influence of Ultrasonic Irradiation of a 316L Weld Pool Produced by DED on the Mechanical Properties of the Produced Component</title> <link>https://www.mdpi.com/2073-4352/14/11/1001</link> <description>Additive manufacturing of metallic components often results in the formation of columnar grain structures aligned along the build direction. These elongated grains can introduce anisotropy, negatively impacting the mechanical properties of the components. This study aimed to achieve controlled solidification with a fine-grained microstructure to enhance the mechanical performance of printed parts. Stainless steel 316L was used as the test material. High-intensity ultrasound was applied during the direct energy deposition (DED) process to inhibit the formation of columnar grains. The investigation emphasized the importance of amplitude changes of the ultrasound wave as the system&amp;amp;rsquo;s geometry continuously evolves with the addition of multiple layers and assessed how these changes influence the grain size and distribution. Initial tests revealed significant amplitude fluctuations during layer deposition, highlighting the impact of layer deposition on process uniformity. The mechanical results demonstrated that the application of ultrasound effectively refined the grain structure, leading to a 15% increase in tensile strength compared to conventionally additively manufactured samples.</description> <pubDate>2024-11-19</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1001: The Influence of Ultrasonic Irradiation of a 316L Weld Pool Produced by DED on the Mechanical Properties of the Produced Component</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/1001">doi: 10.3390/cryst14111001</a></p> <p>Authors: Dennis Lehnert Christian B枚dger Philipp Pabel Claus Scheidemann Tobias Hemsel Stefan Gnaase David Kostka Thomas Tr枚ster </p> <p>Additive manufacturing of metallic components often results in the formation of columnar grain structures aligned along the build direction. These elongated grains can introduce anisotropy, negatively impacting the mechanical properties of the components. This study aimed to achieve controlled solidification with a fine-grained microstructure to enhance the mechanical performance of printed parts. Stainless steel 316L was used as the test material. High-intensity ultrasound was applied during the direct energy deposition (DED) process to inhibit the formation of columnar grains. The investigation emphasized the importance of amplitude changes of the ultrasound wave as the system&amp;amp;rsquo;s geometry continuously evolves with the addition of multiple layers and assessed how these changes influence the grain size and distribution. Initial tests revealed significant amplitude fluctuations during layer deposition, highlighting the impact of layer deposition on process uniformity. The mechanical results demonstrated that the application of ultrasound effectively refined the grain structure, leading to a 15% increase in tensile strength compared to conventionally additively manufactured samples.</p> ]]></content:encoded> <dc:title>The Influence of Ultrasonic Irradiation of a 316L Weld Pool Produced by DED on the Mechanical Properties of the Produced Component</dc:title> <dc:creator>Dennis Lehnert</dc:creator> <dc:creator>Christian B枚dger</dc:creator> <dc:creator>Philipp Pabel</dc:creator> <dc:creator>Claus Scheidemann</dc:creator> <dc:creator>Tobias Hemsel</dc:creator> <dc:creator>Stefan Gnaase</dc:creator> <dc:creator>David Kostka</dc:creator> <dc:creator>Thomas Tr枚ster</dc:creator> <dc:identifier>doi: 10.3390/cryst14111001</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-19</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-19</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1001</prism:startingPage> <prism:doi>10.3390/cryst14111001</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/1001</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/1000"> <title>Crystals, Vol. 14, Pages 1000: Effect of Powder Preparation Techniques on Microstructure, Mechanical Properties, and Wear Behaviors of Graphene-Reinforced Copper Matrix Composites</title> <link>https://www.mdpi.com/2073-4352/14/11/1000</link> <description>In this study, the effect of powder preparation techniques on microstructure, mechanical properties, and wear behaviors of graphene-reinforced copper matrix (Gr/Cu) composites was investigated. The composite powders were prepared by two different techniques including high-energy ball (HEB) milling and nanoscale dispersion (ND). The obtained results showed that the ND technique allows the preparation of the composite powder with a smaller and more uniform grain size compared to the HEB technique. By adding Gr, the mechanical properties and wear resistance of the composite were much improved compared to pure Cu. In addition, the composite using the powder prepared by the ND technique exhibits the best performance with the improvement in hardness (40%), tensile strength (66%) and wear resistance (38%) compared to pure Cu. This results from the uniform grain size of the Cu matrix and the good bonding between Cu matrix and Gr. The strengthening mechanisms were also analyzed to clarify the contribution of the powder preparation techniques on the load transfer strengthening mechanisms of the prepared composite.</description> <pubDate>2024-11-19</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 1000: Effect of Powder Preparation Techniques on Microstructure, Mechanical Properties, and Wear Behaviors of Graphene-Reinforced Copper Matrix Composites</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/1000">doi: 10.3390/cryst14111000</a></p> <p>Authors: Doan Dinh Phuong Pham Van Trinh Phan Ngoc Minh Alexandr A. Shtertser Vladimir Y. Ulianitsky </p> <p>In this study, the effect of powder preparation techniques on microstructure, mechanical properties, and wear behaviors of graphene-reinforced copper matrix (Gr/Cu) composites was investigated. The composite powders were prepared by two different techniques including high-energy ball (HEB) milling and nanoscale dispersion (ND). The obtained results showed that the ND technique allows the preparation of the composite powder with a smaller and more uniform grain size compared to the HEB technique. By adding Gr, the mechanical properties and wear resistance of the composite were much improved compared to pure Cu. In addition, the composite using the powder prepared by the ND technique exhibits the best performance with the improvement in hardness (40%), tensile strength (66%) and wear resistance (38%) compared to pure Cu. This results from the uniform grain size of the Cu matrix and the good bonding between Cu matrix and Gr. The strengthening mechanisms were also analyzed to clarify the contribution of the powder preparation techniques on the load transfer strengthening mechanisms of the prepared composite.</p> ]]></content:encoded> <dc:title>Effect of Powder Preparation Techniques on Microstructure, Mechanical Properties, and Wear Behaviors of Graphene-Reinforced Copper Matrix Composites</dc:title> <dc:creator>Doan Dinh Phuong</dc:creator> <dc:creator>Pham Van Trinh</dc:creator> <dc:creator>Phan Ngoc Minh</dc:creator> <dc:creator>Alexandr A. Shtertser</dc:creator> <dc:creator>Vladimir Y. Ulianitsky</dc:creator> <dc:identifier>doi: 10.3390/cryst14111000</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-19</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-19</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>1000</prism:startingPage> <prism:doi>10.3390/cryst14111000</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/1000</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/999"> <title>Crystals, Vol. 14, Pages 999: Enhancing Wireless Power Transfer Performance Based on a Digital Honeycomb Metamaterial Structure for Multiple Charging Locations</title> <link>https://www.mdpi.com/2073-4352/14/11/999</link> <description>Enhancing the efficiency is an essential target of the wireless power transfer (WPT) technology. Enabling the WPT systems requires careful control to prevent power from being transferred to unintended areas. This is essential in improving the efficiency and minimizing the flux leakage that might otherwise occur. Selective field localization can effectively reduce the flux leakage from the WPT systems. In this work, we propose a method using a digital honeycomb metamaterial structure that has a property operation as a function of switching between 0 and 1 states. These cavities were created by strongly confining the field by using a hybridization bandgap that arose from wave interaction with a two-dimensional array of local resonators on the metasurface. A WPT efficiency of 64% at 13.56 MHz was achieved by using the metamaterial and improved to 60% compared to the system without the metamaterial with an area ratio of Rx:Tx~1:28. Rx is the receiver coil, and Tx is the transmitter one.</description> <pubDate>2024-11-19</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 999: Enhancing Wireless Power Transfer Performance Based on a Digital Honeycomb Metamaterial Structure for Multiple Charging Locations</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/999">doi: 10.3390/cryst14110999</a></p> <p>Authors: Bui Huu Nguyen Pham Thanh Son Le Thi Hong Hiep Nguyen Hai Anh Do Khanh Tung Bui Xuan Khuyen Bui Son Tung Vu Dinh Lam Haiyu Zheng Liangyao Chen YoungPak Lee </p> <p>Enhancing the efficiency is an essential target of the wireless power transfer (WPT) technology. Enabling the WPT systems requires careful control to prevent power from being transferred to unintended areas. This is essential in improving the efficiency and minimizing the flux leakage that might otherwise occur. Selective field localization can effectively reduce the flux leakage from the WPT systems. In this work, we propose a method using a digital honeycomb metamaterial structure that has a property operation as a function of switching between 0 and 1 states. These cavities were created by strongly confining the field by using a hybridization bandgap that arose from wave interaction with a two-dimensional array of local resonators on the metasurface. A WPT efficiency of 64% at 13.56 MHz was achieved by using the metamaterial and improved to 60% compared to the system without the metamaterial with an area ratio of Rx:Tx~1:28. Rx is the receiver coil, and Tx is the transmitter one.</p> ]]></content:encoded> <dc:title>Enhancing Wireless Power Transfer Performance Based on a Digital Honeycomb Metamaterial Structure for Multiple Charging Locations</dc:title> <dc:creator>Bui Huu Nguyen</dc:creator> <dc:creator>Pham Thanh Son</dc:creator> <dc:creator>Le Thi Hong Hiep</dc:creator> <dc:creator>Nguyen Hai Anh</dc:creator> <dc:creator>Do Khanh Tung</dc:creator> <dc:creator>Bui Xuan Khuyen</dc:creator> <dc:creator>Bui Son Tung</dc:creator> <dc:creator>Vu Dinh Lam</dc:creator> <dc:creator>Haiyu Zheng</dc:creator> <dc:creator>Liangyao Chen</dc:creator> <dc:creator>YoungPak Lee</dc:creator> <dc:identifier>doi: 10.3390/cryst14110999</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-19</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-19</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>999</prism:startingPage> <prism:doi>10.3390/cryst14110999</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/999</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/998"> <title>Crystals, Vol. 14, Pages 998: Cr3+ Doping Effects on Structural, Optical, and Morphological Characteristics of BaTiO3 Nanoparticles and Their Bioactive Behavior</title> <link>https://www.mdpi.com/2073-4352/14/11/998</link> <description>This study investigates the effects of chromium (Cr3+) doping on BaTiO3 nanoparticles synthesized via the sol&amp;amp;ndash;gel route. X-ray diffraction confirms a Cr-induced cubic-to-tetragonal phase transition, with lattice parameters and crystallite size varying systematically with Cr3+ content. UV&amp;amp;ndash;visible spectroscopy reveals a monotonic decrease in bandgap energy from 3.168 eV (pure BaTiO3) to 2.604 eV (5% Cr3+-doped BaTiO3). Raman and FTIR spectroscopy elucidate structural distortions and vibrational mode alterations caused by Cr3+ incorporation. Transmission electron microscopy and energy-dispersive X-ray spectroscopy verify nanoscale morphology and successful Cr3+ doping (up to 1.64 atom%). Antioxidant activity, evaluated using the DPPH assay, shows stable radical scavenging for pure BaTiO3 (40.70&amp;amp;ndash;43.33%), with decreased activity at higher Cr3+ doping levels. Antibacterial efficacy against Escherichia coli peaks at 0.5% Cr3+ doping (10.569 mm inhibition zone at 1.5 mg/mL), decreasing at higher concentrations. This study demonstrates the tunability of structural, optical, and bioactive properties in Cr3+-doped BaTiO3 nanoparticles, highlighting their potential as multifunctional materials for electronics, photocatalysis, and biomedical applications.</description> <pubDate>2024-11-19</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 998: Cr3+ Doping Effects on Structural, Optical, and Morphological Characteristics of BaTiO3 Nanoparticles and Their Bioactive Behavior</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/998">doi: 10.3390/cryst14110998</a></p> <p>Authors: Efracio Mamani Flores Bertha Silvana Vera Barrios Julio C茅sar Huillca Huillca Jes煤s Alfredo Chacaltana Garc铆a Carlos Armando Polo Bravo Henry Edgardo Nina Mendoza Alberto Bacilio Quispe Cohaila Francisco Gamarra G贸mez Roc铆o Mar铆a Tamayo Calder贸n Gabriela de Lourdes Fora Quispe Elisban Juani Sacari Sacari </p> <p>This study investigates the effects of chromium (Cr3+) doping on BaTiO3 nanoparticles synthesized via the sol&amp;amp;ndash;gel route. X-ray diffraction confirms a Cr-induced cubic-to-tetragonal phase transition, with lattice parameters and crystallite size varying systematically with Cr3+ content. UV&amp;amp;ndash;visible spectroscopy reveals a monotonic decrease in bandgap energy from 3.168 eV (pure BaTiO3) to 2.604 eV (5% Cr3+-doped BaTiO3). Raman and FTIR spectroscopy elucidate structural distortions and vibrational mode alterations caused by Cr3+ incorporation. Transmission electron microscopy and energy-dispersive X-ray spectroscopy verify nanoscale morphology and successful Cr3+ doping (up to 1.64 atom%). Antioxidant activity, evaluated using the DPPH assay, shows stable radical scavenging for pure BaTiO3 (40.70&amp;amp;ndash;43.33%), with decreased activity at higher Cr3+ doping levels. Antibacterial efficacy against Escherichia coli peaks at 0.5% Cr3+ doping (10.569 mm inhibition zone at 1.5 mg/mL), decreasing at higher concentrations. This study demonstrates the tunability of structural, optical, and bioactive properties in Cr3+-doped BaTiO3 nanoparticles, highlighting their potential as multifunctional materials for electronics, photocatalysis, and biomedical applications.</p> ]]></content:encoded> <dc:title>Cr3+ Doping Effects on Structural, Optical, and Morphological Characteristics of BaTiO3 Nanoparticles and Their Bioactive Behavior</dc:title> <dc:creator>Efracio Mamani Flores</dc:creator> <dc:creator>Bertha Silvana Vera Barrios</dc:creator> <dc:creator>Julio C茅sar Huillca Huillca</dc:creator> <dc:creator>Jes煤s Alfredo Chacaltana Garc铆a</dc:creator> <dc:creator>Carlos Armando Polo Bravo</dc:creator> <dc:creator>Henry Edgardo Nina Mendoza</dc:creator> <dc:creator>Alberto Bacilio Quispe Cohaila</dc:creator> <dc:creator>Francisco Gamarra G贸mez</dc:creator> <dc:creator>Roc铆o Mar铆a Tamayo Calder贸n</dc:creator> <dc:creator>Gabriela de Lourdes Fora Quispe</dc:creator> <dc:creator>Elisban Juani Sacari Sacari</dc:creator> <dc:identifier>doi: 10.3390/cryst14110998</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-19</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-19</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>998</prism:startingPage> <prism:doi>10.3390/cryst14110998</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/998</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/997"> <title>Crystals, Vol. 14, Pages 997: Modulation of Surface Elastic Waves and Surface Acoustic Waves by Acoustic&amp;ndash;Elastic Metamaterials</title> <link>https://www.mdpi.com/2073-4352/14/11/997</link> <description>Metamaterials enable the modulation of elastic waves or acoustic waves in unprecedented ways and have a wide range of potential applications. This paper achieves the simultaneous manipulation of surface elastic waves (SEWs) and surface acoustic waves (SAWs) using two-dimensional acousto-elastic metamaterials (AEMMs). The proposed AEMMs are composed of periodic hollow cylinders on the surface of a semi-infinite substrate. The band diagrams and the frequency responses of the AEMMs are numerically calculated through the finite element approach. The band diagrams exhibit simultaneous bandgaps for the SEWs and SAWs, which can also be effectively tuned by the modification of AEMM geometry. Furthermore, we construct the AEMM waveguide by the introduction of a line defect and hence demonstrate its ability to guide the SEWs and SAWs simultaneously. We expect that the proposed AEMMs will contribute to the development of multi-functional wave devices, such as filters for dual waves in microelectronics or liquid sensors that detect more than one physical property.</description> <pubDate>2024-11-18</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 997: Modulation of Surface Elastic Waves and Surface Acoustic Waves by Acoustic&amp;ndash;Elastic Metamaterials</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/997">doi: 10.3390/cryst14110997</a></p> <p>Authors: Chang Fu Tian-Xue Ma </p> <p>Metamaterials enable the modulation of elastic waves or acoustic waves in unprecedented ways and have a wide range of potential applications. This paper achieves the simultaneous manipulation of surface elastic waves (SEWs) and surface acoustic waves (SAWs) using two-dimensional acousto-elastic metamaterials (AEMMs). The proposed AEMMs are composed of periodic hollow cylinders on the surface of a semi-infinite substrate. The band diagrams and the frequency responses of the AEMMs are numerically calculated through the finite element approach. The band diagrams exhibit simultaneous bandgaps for the SEWs and SAWs, which can also be effectively tuned by the modification of AEMM geometry. Furthermore, we construct the AEMM waveguide by the introduction of a line defect and hence demonstrate its ability to guide the SEWs and SAWs simultaneously. We expect that the proposed AEMMs will contribute to the development of multi-functional wave devices, such as filters for dual waves in microelectronics or liquid sensors that detect more than one physical property.</p> ]]></content:encoded> <dc:title>Modulation of Surface Elastic Waves and Surface Acoustic Waves by Acoustic&amp;amp;ndash;Elastic Metamaterials</dc:title> <dc:creator>Chang Fu</dc:creator> <dc:creator>Tian-Xue Ma</dc:creator> <dc:identifier>doi: 10.3390/cryst14110997</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-18</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-18</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>997</prism:startingPage> <prism:doi>10.3390/cryst14110997</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/997</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/996"> <title>Crystals, Vol. 14, Pages 996: Effects of Temperature and Secondary Orientations on the Deformation Behavior of Single-Crystal Superalloys</title> <link>https://www.mdpi.com/2073-4352/14/11/996</link> <description>The tensile behavior of single-crystal superalloys was investigated at room temperature (RT) and 850 &amp;amp;deg;C, focusing on various secondary orientations. Transmission electron microscopy (TEM) and quasi in situ electron backscatter diffraction (EBSD) were employed to study the deformation mechanisms across length scales. Deformation at 850 &amp;amp;deg;C enhanced the tensile ductility of the samples, evidenced by the more uniform coverage of dislocations across the &amp;amp;gamma; and &amp;amp;gamma;&amp;amp;prime; phases, and the fracture mode switched from pure cleavage at room temperature to mixed mode due to accelerated void growth. The influence of secondary orientations on mechanical properties is insignificant at room temperature. However, the ductility of the different secondary orientation samples shows significant variations at 850 &amp;amp;deg;C, among which the one with [001] rotated 37&amp;amp;deg; demonstrated superior ductility compared to others.</description> <pubDate>2024-11-18</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 996: Effects of Temperature and Secondary Orientations on the Deformation Behavior of Single-Crystal Superalloys</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/996">doi: 10.3390/cryst14110996</a></p> <p>Authors: Sujie Liu Cui Zong Guangcai Ma Yafeng Zhao Junjie Huang Yi Guo Xingqiu Chen </p> <p>The tensile behavior of single-crystal superalloys was investigated at room temperature (RT) and 850 &amp;amp;deg;C, focusing on various secondary orientations. Transmission electron microscopy (TEM) and quasi in situ electron backscatter diffraction (EBSD) were employed to study the deformation mechanisms across length scales. Deformation at 850 &amp;amp;deg;C enhanced the tensile ductility of the samples, evidenced by the more uniform coverage of dislocations across the &amp;amp;gamma; and &amp;amp;gamma;&amp;amp;prime; phases, and the fracture mode switched from pure cleavage at room temperature to mixed mode due to accelerated void growth. The influence of secondary orientations on mechanical properties is insignificant at room temperature. However, the ductility of the different secondary orientation samples shows significant variations at 850 &amp;amp;deg;C, among which the one with [001] rotated 37&amp;amp;deg; demonstrated superior ductility compared to others.</p> ]]></content:encoded> <dc:title>Effects of Temperature and Secondary Orientations on the Deformation Behavior of Single-Crystal Superalloys</dc:title> <dc:creator>Sujie Liu</dc:creator> <dc:creator>Cui Zong</dc:creator> <dc:creator>Guangcai Ma</dc:creator> <dc:creator>Yafeng Zhao</dc:creator> <dc:creator>Junjie Huang</dc:creator> <dc:creator>Yi Guo</dc:creator> <dc:creator>Xingqiu Chen</dc:creator> <dc:identifier>doi: 10.3390/cryst14110996</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-18</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-18</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>996</prism:startingPage> <prism:doi>10.3390/cryst14110996</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/996</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/995"> <title>Crystals, Vol. 14, Pages 995: A Revival of Molecular Surface Electrostatic Potential Statistical Quantities: Ionic Solids and Liquids</title> <link>https://www.mdpi.com/2073-4352/14/11/995</link> <description>In this paper, we focus on surface electrostatic potentials and a variety of statistically derived quantities defined in terms of the surface potentials. These have been shown earlier to be meaningful in describing features of these potentials and have been utilized to understand the interactive tendencies of molecules in condensed phases. Our current emphasis is on ionic salts and liquids instead of neutral molecules. Earlier work on ionic salts has been reviewed. Presently, our results are for a variety of singly charged cations and anions that can combine to form ionic solids or liquids. Our approach is computational, using the density functional B3PW91/6-31G(d,p) procedure for all calculations. We find consistently that the average positive and negative surface electrostatic potentials of the cations and anions decrease with the size of the ion, as has been noted earlier. A model using computed statistical quantities has allowed us to put the melting points of both ionic solids and liquids together, covering a range from 993 &amp;amp;deg;C to 11 &amp;amp;deg;C.</description> <pubDate>2024-11-17</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 995: A Revival of Molecular Surface Electrostatic Potential Statistical Quantities: Ionic Solids and Liquids</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/995">doi: 10.3390/cryst14110995</a></p> <p>Authors: Jane S. Murray Kevin E. Riley Tore Brinck </p> <p>In this paper, we focus on surface electrostatic potentials and a variety of statistically derived quantities defined in terms of the surface potentials. These have been shown earlier to be meaningful in describing features of these potentials and have been utilized to understand the interactive tendencies of molecules in condensed phases. Our current emphasis is on ionic salts and liquids instead of neutral molecules. Earlier work on ionic salts has been reviewed. Presently, our results are for a variety of singly charged cations and anions that can combine to form ionic solids or liquids. Our approach is computational, using the density functional B3PW91/6-31G(d,p) procedure for all calculations. We find consistently that the average positive and negative surface electrostatic potentials of the cations and anions decrease with the size of the ion, as has been noted earlier. A model using computed statistical quantities has allowed us to put the melting points of both ionic solids and liquids together, covering a range from 993 &amp;amp;deg;C to 11 &amp;amp;deg;C.</p> ]]></content:encoded> <dc:title>A Revival of Molecular Surface Electrostatic Potential Statistical Quantities: Ionic Solids and Liquids</dc:title> <dc:creator>Jane S. Murray</dc:creator> <dc:creator>Kevin E. Riley</dc:creator> <dc:creator>Tore Brinck</dc:creator> <dc:identifier>doi: 10.3390/cryst14110995</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-17</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-17</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>995</prism:startingPage> <prism:doi>10.3390/cryst14110995</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/995</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/994"> <title>Crystals, Vol. 14, Pages 994: Lattice Dynamics of Ni3-xCoxB2O6 Solid Solutions</title> <link>https://www.mdpi.com/2073-4352/14/11/994</link> <description>On the one hand, Ni3-xCoxB2O6 solid solutions are promising anode materials for lithium batteries, and on the other hand, they have antiferromagnetic properties. This study examines the lattice dynamics of Ni3-xCoxB2O6 solid solutions for x = 0, 1, 2, 3 by means of quantum chemistry and Raman spectroscopy. The vibrational spectra of the compound NiCo2B2O6 have been studied using the polarized Raman spectroscopy method. Good agreement was found between the theoretical and experimental results. As expected, the largest change in frequencies was observed in the modes where the vibrations of the metal ion had a large amplitude. The substitution of cobalt by nickel does not lead to the appearance of soft modes. This fact indicates that the structures of the solid solutions are stable.</description> <pubDate>2024-11-17</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 994: Lattice Dynamics of Ni3-xCoxB2O6 Solid Solutions</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/994">doi: 10.3390/cryst14110994</a></p> <p>Authors: Svetlana N. Sofronova Maksim S. Pavlovskii Svetlana N. Krylova Alexander N. Vtyurin Alexander S. Krylov </p> <p>On the one hand, Ni3-xCoxB2O6 solid solutions are promising anode materials for lithium batteries, and on the other hand, they have antiferromagnetic properties. This study examines the lattice dynamics of Ni3-xCoxB2O6 solid solutions for x = 0, 1, 2, 3 by means of quantum chemistry and Raman spectroscopy. The vibrational spectra of the compound NiCo2B2O6 have been studied using the polarized Raman spectroscopy method. Good agreement was found between the theoretical and experimental results. As expected, the largest change in frequencies was observed in the modes where the vibrations of the metal ion had a large amplitude. The substitution of cobalt by nickel does not lead to the appearance of soft modes. This fact indicates that the structures of the solid solutions are stable.</p> ]]></content:encoded> <dc:title>Lattice Dynamics of Ni3-xCoxB2O6 Solid Solutions</dc:title> <dc:creator>Svetlana N. Sofronova</dc:creator> <dc:creator>Maksim S. Pavlovskii</dc:creator> <dc:creator>Svetlana N. Krylova</dc:creator> <dc:creator>Alexander N. Vtyurin</dc:creator> <dc:creator>Alexander S. Krylov</dc:creator> <dc:identifier>doi: 10.3390/cryst14110994</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-17</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-17</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>994</prism:startingPage> <prism:doi>10.3390/cryst14110994</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/994</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/993"> <title>Crystals, Vol. 14, Pages 993: Mechanical, Tribological, and Corrosion Resistance Properties of (TiAlxCrNbY)Ny High-Entropy Coatings Synthesized Through Hybrid Reactive Magnetron Sputtering</title> <link>https://www.mdpi.com/2073-4352/14/11/993</link> <description>This study investigates the effects of aluminum and nitrogen content on the microstructure, mechanical properties, and tribological performance of high-entropy coatings based on (TiCrAlxNbY)Ny systems. Using a hybrid magnetron sputtering technique, both metallic and nitride coatings were synthesized and evaluated. Increasing the aluminum concentration led to a transition from a crystalline to a nanocrystalline and nearly amorphous (NC/A) structure, with the TiAl0.5CrNbY sample (11.8% Al) exhibiting the best balance of hardness (6.8 GPa), elastic modulus (87.1 GPa), and coefficient of friction (0.64). The addition of nitrogen further enhanced these properties, transitioning the coatings to a denser fine-grained FCC structure. The HN2 sample (45.8% nitrogen) displayed the highest hardness (21.8 GPa) but increased brittleness, while the HN1 sample (32.9% nitrogen) provided an optimal balance of hardness (14.3 GPa), elastic modulus (127.5 GPa), coefficient of friction (0.60), and wear resistance (21.2 &amp;amp;times; 10&amp;amp;minus;6 mm3/Nm). Electrochemical impedance spectroscopy revealed improved corrosion resistance for the HN1 sample due to its dense microstructure. Overall, the (TiAl0.5CrNbY)N0.5 coating achieved the best performance for friction applications, such as break and clutch systems, requiring high coefficients of friction, high wear resistance, and durability.</description> <pubDate>2024-11-17</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 993: Mechanical, Tribological, and Corrosion Resistance Properties of (TiAlxCrNbY)Ny High-Entropy Coatings Synthesized Through Hybrid Reactive Magnetron Sputtering</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/993">doi: 10.3390/cryst14110993</a></p> <p>Authors: Nicolae C. Zoita Mihaela Dinu Anca C. Parau Iulian Pana Adrian E. Kiss </p> <p>This study investigates the effects of aluminum and nitrogen content on the microstructure, mechanical properties, and tribological performance of high-entropy coatings based on (TiCrAlxNbY)Ny systems. Using a hybrid magnetron sputtering technique, both metallic and nitride coatings were synthesized and evaluated. Increasing the aluminum concentration led to a transition from a crystalline to a nanocrystalline and nearly amorphous (NC/A) structure, with the TiAl0.5CrNbY sample (11.8% Al) exhibiting the best balance of hardness (6.8 GPa), elastic modulus (87.1 GPa), and coefficient of friction (0.64). The addition of nitrogen further enhanced these properties, transitioning the coatings to a denser fine-grained FCC structure. The HN2 sample (45.8% nitrogen) displayed the highest hardness (21.8 GPa) but increased brittleness, while the HN1 sample (32.9% nitrogen) provided an optimal balance of hardness (14.3 GPa), elastic modulus (127.5 GPa), coefficient of friction (0.60), and wear resistance (21.2 &amp;amp;times; 10&amp;amp;minus;6 mm3/Nm). Electrochemical impedance spectroscopy revealed improved corrosion resistance for the HN1 sample due to its dense microstructure. Overall, the (TiAl0.5CrNbY)N0.5 coating achieved the best performance for friction applications, such as break and clutch systems, requiring high coefficients of friction, high wear resistance, and durability.</p> ]]></content:encoded> <dc:title>Mechanical, Tribological, and Corrosion Resistance Properties of (TiAlxCrNbY)Ny High-Entropy Coatings Synthesized Through Hybrid Reactive Magnetron Sputtering</dc:title> <dc:creator>Nicolae C. Zoita</dc:creator> <dc:creator>Mihaela Dinu</dc:creator> <dc:creator>Anca C. Parau</dc:creator> <dc:creator>Iulian Pana</dc:creator> <dc:creator>Adrian E. Kiss</dc:creator> <dc:identifier>doi: 10.3390/cryst14110993</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-17</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-17</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>993</prism:startingPage> <prism:doi>10.3390/cryst14110993</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/993</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/992"> <title>Crystals, Vol. 14, Pages 992: Thermal Regulation of the Acoustic Bandgap in Pentamode Metamaterials</title> <link>https://www.mdpi.com/2073-4352/14/11/992</link> <description>This study used the finite element method to investigate the acoustic bandgap (ABG) characteristics of three-dimensional pentamode metamaterial (PM) structures under the thermal environment, and a method for controlling the PM ABG based on external temperature variation is also proposed. The results indicate that the complete acoustic bandgap can be obtained for a PM in the thermal environment, which makes the PM combine the bandgap characteristics of phononic crystals. More than that, the bandwidth and locations of ABGs can be effectively manipulated by controlling the temperature. Considering the softening effect of thermal stresses, the ABG gradually moves to lower frequencies as the temperature increases. Based on this, different degrees of ABG tunability can be achieved by changing the thermal environment to propagate or suppress acoustic waves of different frequencies. This work provides the possibility for PMs to realize intelligent regulation of the bandgap.</description> <pubDate>2024-11-17</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 992: Thermal Regulation of the Acoustic Bandgap in Pentamode Metamaterials</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/992">doi: 10.3390/cryst14110992</a></p> <p>Authors: Jing Cheng Shujun Liang Yangyang Chu </p> <p>This study used the finite element method to investigate the acoustic bandgap (ABG) characteristics of three-dimensional pentamode metamaterial (PM) structures under the thermal environment, and a method for controlling the PM ABG based on external temperature variation is also proposed. The results indicate that the complete acoustic bandgap can be obtained for a PM in the thermal environment, which makes the PM combine the bandgap characteristics of phononic crystals. More than that, the bandwidth and locations of ABGs can be effectively manipulated by controlling the temperature. Considering the softening effect of thermal stresses, the ABG gradually moves to lower frequencies as the temperature increases. Based on this, different degrees of ABG tunability can be achieved by changing the thermal environment to propagate or suppress acoustic waves of different frequencies. This work provides the possibility for PMs to realize intelligent regulation of the bandgap.</p> ]]></content:encoded> <dc:title>Thermal Regulation of the Acoustic Bandgap in Pentamode Metamaterials</dc:title> <dc:creator>Jing Cheng</dc:creator> <dc:creator>Shujun Liang</dc:creator> <dc:creator>Yangyang Chu</dc:creator> <dc:identifier>doi: 10.3390/cryst14110992</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-17</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-17</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>992</prism:startingPage> <prism:doi>10.3390/cryst14110992</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/992</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/991"> <title>Crystals, Vol. 14, Pages 991: Metal Oxides: Crystal Structure, Synthesis and Characterization</title> <link>https://www.mdpi.com/2073-4352/14/11/991</link> <description>Solid metal oxides are widely recognized for their ubiquitous presence and multifaceted utility in everyday applications [...]</description> <pubDate>2024-11-17</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 991: Metal Oxides: Crystal Structure, Synthesis and Characterization</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/991">doi: 10.3390/cryst14110991</a></p> <p>Authors: Karolina Siedliska </p> <p>Solid metal oxides are widely recognized for their ubiquitous presence and multifaceted utility in everyday applications [...]</p> ]]></content:encoded> <dc:title>Metal Oxides: Crystal Structure, Synthesis and Characterization</dc:title> <dc:creator>Karolina Siedliska</dc:creator> <dc:identifier>doi: 10.3390/cryst14110991</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-17</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-17</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Editorial</prism:section> <prism:startingPage>991</prism:startingPage> <prism:doi>10.3390/cryst14110991</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/991</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/990"> <title>Crystals, Vol. 14, Pages 990: Performance and Characterization of Additively Manufactured BST Varactor Enhanced by Photonic Thermal Processing</title> <link>https://www.mdpi.com/2073-4352/14/11/990</link> <description>The demand for reconfigurable devices for emerging RF and microwave applications has been growing in recent years, with additive manufacturing and photonic thermal treatment presenting new possibilities to supplement conventional fabrication processes to meet this demand. In this paper, we present the realization and analysis of barium&amp;amp;ndash;strontium&amp;amp;ndash;titanate-(Ba0.5Sr0.5TiO3)-based ferroelectric variable capacitors (varactors), which are additively deposited on top of conventionally fabricated interdigitated capacitors and enhanced by photonic thermal processing. The ferroelectric solution with suspended BST nanoparticles is deposited on the device using an ambient spray pyrolysis method and is sintered at low temperatures using photonic thermal processing by leveraging the high surface-to-volume ratio of the BST nanoparticles. The deposited film is qualitatively characterized using SEM imaging and XRD measurements, while the varactor devices are quantitatively characterized by using high-frequency RF measurements from 300 MHz to 10 GHz under an applied DC bias voltage ranging from 0 V to 50 V. We observe a maximum tunability of 60.6% at 1 GHz under an applied electric field of 25 kV/mm (25 V/&amp;amp;mu;m). These results show promise for the implementation of photonic thermal processing and additive manufacturing as a means to integrate reconfigurable ferroelectric varactors in flexible electronics or tightly packaged on-chip applications, where a limited thermal budget hinders the conventional thermal processing.</description> <pubDate>2024-11-16</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 990: Performance and Characterization of Additively Manufactured BST Varactor Enhanced by Photonic Thermal Processing</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/990">doi: 10.3390/cryst14110990</a></p> <p>Authors: Carlos Molina Ugur Guneroglu Adnan Zaman Liguan Li Jing Wang </p> <p>The demand for reconfigurable devices for emerging RF and microwave applications has been growing in recent years, with additive manufacturing and photonic thermal treatment presenting new possibilities to supplement conventional fabrication processes to meet this demand. In this paper, we present the realization and analysis of barium&amp;amp;ndash;strontium&amp;amp;ndash;titanate-(Ba0.5Sr0.5TiO3)-based ferroelectric variable capacitors (varactors), which are additively deposited on top of conventionally fabricated interdigitated capacitors and enhanced by photonic thermal processing. The ferroelectric solution with suspended BST nanoparticles is deposited on the device using an ambient spray pyrolysis method and is sintered at low temperatures using photonic thermal processing by leveraging the high surface-to-volume ratio of the BST nanoparticles. The deposited film is qualitatively characterized using SEM imaging and XRD measurements, while the varactor devices are quantitatively characterized by using high-frequency RF measurements from 300 MHz to 10 GHz under an applied DC bias voltage ranging from 0 V to 50 V. We observe a maximum tunability of 60.6% at 1 GHz under an applied electric field of 25 kV/mm (25 V/&amp;amp;mu;m). These results show promise for the implementation of photonic thermal processing and additive manufacturing as a means to integrate reconfigurable ferroelectric varactors in flexible electronics or tightly packaged on-chip applications, where a limited thermal budget hinders the conventional thermal processing.</p> ]]></content:encoded> <dc:title>Performance and Characterization of Additively Manufactured BST Varactor Enhanced by Photonic Thermal Processing</dc:title> <dc:creator>Carlos Molina</dc:creator> <dc:creator>Ugur Guneroglu</dc:creator> <dc:creator>Adnan Zaman</dc:creator> <dc:creator>Liguan Li</dc:creator> <dc:creator>Jing Wang</dc:creator> <dc:identifier>doi: 10.3390/cryst14110990</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-16</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-16</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>990</prism:startingPage> <prism:doi>10.3390/cryst14110990</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/990</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/989"> <title>Crystals, Vol. 14, Pages 989: Growth and Characterization of High-Quality YTiO3 Single Crystals: Minimizing Ti4+ Containing Impurities and TiN Formation</title> <link>https://www.mdpi.com/2073-4352/14/11/989</link> <description>We report the growth of YTiO3 single crystals using different starting materials with the nominal compositions, (1) stoichiometric YTiO3; (2) oxygen deficient YTiO2.925; (3) oxygen deficient YTiO2.85, and different atmospheres, (1) 97%Ar/3%H2; (2) Ar; (3) forming gas 95%N2/5%H2, using the laser floating zone growth technique. The oxygen-deficient starting materials were prepared by mixing Y2O3, Ti2O3, and Ti powder according to the YTiO3-&amp;amp;delta; stoichiometry. The addition of Ti powder to the starting materials effectively reacts with the oxygen in the floating zone furnace chamber, reducing Ti4+ ion-containing impurities. High-quality YTiO3 single crystals with (2 0 0) facet were grown from the starting materials corresponding to the nominal composition YTiO2.925. YTiO3 single crystals grown from different starting materials are characteristic of oxygen content of 3 in both pure crystals and crystals containing impurities, revealed by the same oxygen occupancy in single crystal X-ray diffraction measurements. When forming gas was used, a golden TiN coating formed on the surface of rod.</description> <pubDate>2024-11-16</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 989: Growth and Characterization of High-Quality YTiO3 Single Crystals: Minimizing Ti4+ Containing Impurities and TiN Formation</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/989">doi: 10.3390/cryst14110989</a></p> <p>Authors: Yong Liu David Wenhua Bi Arnaud Magrez </p> <p>We report the growth of YTiO3 single crystals using different starting materials with the nominal compositions, (1) stoichiometric YTiO3; (2) oxygen deficient YTiO2.925; (3) oxygen deficient YTiO2.85, and different atmospheres, (1) 97%Ar/3%H2; (2) Ar; (3) forming gas 95%N2/5%H2, using the laser floating zone growth technique. The oxygen-deficient starting materials were prepared by mixing Y2O3, Ti2O3, and Ti powder according to the YTiO3-&amp;amp;delta; stoichiometry. The addition of Ti powder to the starting materials effectively reacts with the oxygen in the floating zone furnace chamber, reducing Ti4+ ion-containing impurities. High-quality YTiO3 single crystals with (2 0 0) facet were grown from the starting materials corresponding to the nominal composition YTiO2.925. YTiO3 single crystals grown from different starting materials are characteristic of oxygen content of 3 in both pure crystals and crystals containing impurities, revealed by the same oxygen occupancy in single crystal X-ray diffraction measurements. When forming gas was used, a golden TiN coating formed on the surface of rod.</p> ]]></content:encoded> <dc:title>Growth and Characterization of High-Quality YTiO3 Single Crystals: Minimizing Ti4+ Containing Impurities and TiN Formation</dc:title> <dc:creator>Yong Liu</dc:creator> <dc:creator>David Wenhua Bi</dc:creator> <dc:creator>Arnaud Magrez</dc:creator> <dc:identifier>doi: 10.3390/cryst14110989</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-16</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-16</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>989</prism:startingPage> <prism:doi>10.3390/cryst14110989</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/989</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/988"> <title>Crystals, Vol. 14, Pages 988: Investigating Exchange Efficiencies of Sodium and Magnesium to Access Lithium from &amp;beta;-Spodumene and Li-Stuffed &amp;beta;-Quartz (&amp;gamma;-Spodumene)</title> <link>https://www.mdpi.com/2073-4352/14/11/988</link> <description>After the high-temperature pretreatment of &amp;amp;alpha;-spodumene to induce a phase transition to &amp;amp;beta;-spodumene, a derivative of the silica polymorph keatite, often coexisting with metastable Li-stuffed &amp;amp;beta;-quartz (&amp;amp;gamma;-spodumene), the conventional approach to access lithium is through ion exchange with hydrogen using concentrated sulfuric acid, which presents drawbacks associated with the production of low-value leaching residues. As sodium and magnesium can produce more interesting aluminosilicate byproducts, this study investigates Na+ &amp;amp;harr; Li+ and Mg2+ &amp;amp;harr; 2 Li+ substitution efficiencies in &amp;amp;beta;-spodumene and &amp;amp;beta;-quartz. Thermal annealing at 850 &amp;amp;deg;C of the LiAlSi2O6 silica derivatives mixed with an equimolar proportion of Na endmember glass of equivalent stoichiometry (NaAlSi2O6) indicates that sodium incorporation in &amp;amp;beta;-quartz is limited, whereas the main constraint for not attaining complete growth to a Na0.5Li0.5AlSi2O6 &amp;amp;beta;-spodumene solid solution is co-crystallization of minor nepheline. For similar experiments in the equimolar LiAlSi2O6-Mg0.5AlSi2O6 system, the efficient substitution of Mg for Li is observed in both &amp;amp;beta;-spodumene and &amp;amp;beta;-quartz, consistent with the alkaline earth having an ionic radius closer to lithium than sodium. Ion exchange at lower temperatures was also evaluated by exposing coexisting &amp;amp;beta;-spodumene and &amp;amp;beta;-quartz to molten salts. In NaNO3 at 320 &amp;amp;deg;C, sodium for lithium exchange reaches &amp;amp;asymp;90% in &amp;amp;beta;-spodumene but less than &amp;amp;asymp;2% in &amp;amp;beta;-quartz, suggesting that to be an efficient lithium recovery route, the formation of &amp;amp;beta;-quartz during the conversion of &amp;amp;alpha;-spodumene needs to be minimized. At 525 &amp;amp;deg;C in a molten MgCl2/KCl medium, although full LiAlSi2O6-Mg0.5AlSi2O6 solid solution is observed in &amp;amp;beta;-quartz, structural constraints restrict the incorporation of magnesium in &amp;amp;beta;-spodumene to a Li0.2Mg0.4AlSi2O6 stoichiometry, limiting lithium recovery to 80%.</description> <pubDate>2024-11-16</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 988: Investigating Exchange Efficiencies of Sodium and Magnesium to Access Lithium from &amp;beta;-Spodumene and Li-Stuffed &amp;beta;-Quartz (&amp;gamma;-Spodumene)</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/988">doi: 10.3390/cryst14110988</a></p> <p>Authors: Joanne Gamage McEvoy Yves Thibault Dominique Duguay </p> <p>After the high-temperature pretreatment of &amp;amp;alpha;-spodumene to induce a phase transition to &amp;amp;beta;-spodumene, a derivative of the silica polymorph keatite, often coexisting with metastable Li-stuffed &amp;amp;beta;-quartz (&amp;amp;gamma;-spodumene), the conventional approach to access lithium is through ion exchange with hydrogen using concentrated sulfuric acid, which presents drawbacks associated with the production of low-value leaching residues. As sodium and magnesium can produce more interesting aluminosilicate byproducts, this study investigates Na+ &amp;amp;harr; Li+ and Mg2+ &amp;amp;harr; 2 Li+ substitution efficiencies in &amp;amp;beta;-spodumene and &amp;amp;beta;-quartz. Thermal annealing at 850 &amp;amp;deg;C of the LiAlSi2O6 silica derivatives mixed with an equimolar proportion of Na endmember glass of equivalent stoichiometry (NaAlSi2O6) indicates that sodium incorporation in &amp;amp;beta;-quartz is limited, whereas the main constraint for not attaining complete growth to a Na0.5Li0.5AlSi2O6 &amp;amp;beta;-spodumene solid solution is co-crystallization of minor nepheline. For similar experiments in the equimolar LiAlSi2O6-Mg0.5AlSi2O6 system, the efficient substitution of Mg for Li is observed in both &amp;amp;beta;-spodumene and &amp;amp;beta;-quartz, consistent with the alkaline earth having an ionic radius closer to lithium than sodium. Ion exchange at lower temperatures was also evaluated by exposing coexisting &amp;amp;beta;-spodumene and &amp;amp;beta;-quartz to molten salts. In NaNO3 at 320 &amp;amp;deg;C, sodium for lithium exchange reaches &amp;amp;asymp;90% in &amp;amp;beta;-spodumene but less than &amp;amp;asymp;2% in &amp;amp;beta;-quartz, suggesting that to be an efficient lithium recovery route, the formation of &amp;amp;beta;-quartz during the conversion of &amp;amp;alpha;-spodumene needs to be minimized. At 525 &amp;amp;deg;C in a molten MgCl2/KCl medium, although full LiAlSi2O6-Mg0.5AlSi2O6 solid solution is observed in &amp;amp;beta;-quartz, structural constraints restrict the incorporation of magnesium in &amp;amp;beta;-spodumene to a Li0.2Mg0.4AlSi2O6 stoichiometry, limiting lithium recovery to 80%.</p> ]]></content:encoded> <dc:title>Investigating Exchange Efficiencies of Sodium and Magnesium to Access Lithium from &amp;amp;beta;-Spodumene and Li-Stuffed &amp;amp;beta;-Quartz (&amp;amp;gamma;-Spodumene)</dc:title> <dc:creator>Joanne Gamage McEvoy</dc:creator> <dc:creator>Yves Thibault</dc:creator> <dc:creator>Dominique Duguay</dc:creator> <dc:identifier>doi: 10.3390/cryst14110988</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-16</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-16</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>988</prism:startingPage> <prism:doi>10.3390/cryst14110988</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/988</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/987"> <title>Crystals, Vol. 14, Pages 987: Supported and Free-Standing Non-Noble Metal Nanoparticles and Their Catalytic Activity in Hydroconversion of Asphaltenes into Light Hydrocarbons</title> <link>https://www.mdpi.com/2073-4352/14/11/987</link> <description>The hydroconversion of asphaltenes into light hydrocarbons catalyzed by supported and free-standing non-noble metal nanoparticles was studied. The activity of Ni or Co immobilized on microspherical oxide carriers and Co nanoparticles dispersed in a hydrocarbon solution of asphaltene was found to be higher than that of a comparative Pt-Pd/Al2O3 catalyst. The yield of light products (C5+) reached up to 91% on cobalt nanoparticles supported onto alumina microspheres.</description> <pubDate>2024-11-16</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 987: Supported and Free-Standing Non-Noble Metal Nanoparticles and Their Catalytic Activity in Hydroconversion of Asphaltenes into Light Hydrocarbons</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/987">doi: 10.3390/cryst14110987</a></p> <p>Authors: Leonid Kustov Andrei Tarasov Kristina Kartavova Valery Khabashesku Olga Kirichenko Gennady Kapustin Alexander Kustov Evgeny Abkhalimov Boris Ershov </p> <p>The hydroconversion of asphaltenes into light hydrocarbons catalyzed by supported and free-standing non-noble metal nanoparticles was studied. The activity of Ni or Co immobilized on microspherical oxide carriers and Co nanoparticles dispersed in a hydrocarbon solution of asphaltene was found to be higher than that of a comparative Pt-Pd/Al2O3 catalyst. The yield of light products (C5+) reached up to 91% on cobalt nanoparticles supported onto alumina microspheres.</p> ]]></content:encoded> <dc:title>Supported and Free-Standing Non-Noble Metal Nanoparticles and Their Catalytic Activity in Hydroconversion of Asphaltenes into Light Hydrocarbons</dc:title> <dc:creator>Leonid Kustov</dc:creator> <dc:creator>Andrei Tarasov</dc:creator> <dc:creator>Kristina Kartavova</dc:creator> <dc:creator>Valery Khabashesku</dc:creator> <dc:creator>Olga Kirichenko</dc:creator> <dc:creator>Gennady Kapustin</dc:creator> <dc:creator>Alexander Kustov</dc:creator> <dc:creator>Evgeny Abkhalimov</dc:creator> <dc:creator>Boris Ershov</dc:creator> <dc:identifier>doi: 10.3390/cryst14110987</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-16</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-16</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>987</prism:startingPage> <prism:doi>10.3390/cryst14110987</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/987</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/986"> <title>Crystals, Vol. 14, Pages 986: Atmosphere-Controlled Solvatomorphic Transitions of Ternary Copper(II) Coordination Compounds in Solid State</title> <link>https://www.mdpi.com/2073-4352/14/11/986</link> <description>Reactions of copper(II) sulfate with 2,2&amp;amp;prime;-bipyridine (bpy) and l-serine (l-Hser) were investigated using different solution-based and mechanochemical methods. Four new ternary coordination compounds were obtained by solution-based synthesis, and three of them additionally via the liquid-assisted mechanochemical method: &amp;amp;alpha;-[Cu(l-Ser)(H2O)(bpy)]2SO4 (1a-&amp;amp;alpha;), &amp;amp;beta;-[Cu(l-Ser)(H2O)(bpy)]2SO4 (1a-&amp;amp;beta;), [Cu(l-Ser)(H2O)(bpy)]2SO4&amp;amp;middot;6H2O (1a&amp;amp;#8729;6H2O), and [Cu(l-Ser)(bpy)(CH3OH)]2SO4&amp;amp;middot;2CH3OH (1b&amp;amp;#8729;3CH3OH). The compounds were characterized by single-crystal and powder X-ray diffraction, infrared spectroscopy, and thermal analysis. Structural studies revealed two polymorphs (1a-&amp;amp;alpha; and 1a-&amp;amp;beta;) and two solvatomorphs (1a&amp;amp;#8729;6H2O and 1b&amp;amp;#8729;3CH3OH). To investigate the stability of the compounds, crystalline samples were exposed to different conditions of relative humidity (RH) and an atmosphere of methanol vapours. Successful solid-state transformation of 1a&amp;amp;#8729;6H2O into 1a-&amp;amp;alpha; was established at lower RH values, and vice versa at higher RH values, while both compounds partially transitioned to 1a-&amp;amp;beta; in the atmosphere of methanol vapours. Compound 1b&amp;amp;#8729;3CH3OH decomposed spontaneously into 1a-&amp;amp;alpha; by standing in the air. All of the investigated structural transformations were underpinned with proposed mechanisms. Additionally, 1a-&amp;amp;alpha; showed moderate in vitro antiproliferative activity toward a human breast cancer cell line (MCF-7), a human colon cancer cell line (HCT116), and a human lung cancer cell line (H460).</description> <pubDate>2024-11-15</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 986: Atmosphere-Controlled Solvatomorphic Transitions of Ternary Copper(II) Coordination Compounds in Solid State</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/986">doi: 10.3390/cryst14110986</a></p> <p>Authors: Darko Vu拧ak Matea Primo啪i膰 Biserka Prugove膷ki </p> <p>Reactions of copper(II) sulfate with 2,2&amp;amp;prime;-bipyridine (bpy) and l-serine (l-Hser) were investigated using different solution-based and mechanochemical methods. Four new ternary coordination compounds were obtained by solution-based synthesis, and three of them additionally via the liquid-assisted mechanochemical method: &amp;amp;alpha;-[Cu(l-Ser)(H2O)(bpy)]2SO4 (1a-&amp;amp;alpha;), &amp;amp;beta;-[Cu(l-Ser)(H2O)(bpy)]2SO4 (1a-&amp;amp;beta;), [Cu(l-Ser)(H2O)(bpy)]2SO4&amp;amp;middot;6H2O (1a&amp;amp;#8729;6H2O), and [Cu(l-Ser)(bpy)(CH3OH)]2SO4&amp;amp;middot;2CH3OH (1b&amp;amp;#8729;3CH3OH). The compounds were characterized by single-crystal and powder X-ray diffraction, infrared spectroscopy, and thermal analysis. Structural studies revealed two polymorphs (1a-&amp;amp;alpha; and 1a-&amp;amp;beta;) and two solvatomorphs (1a&amp;amp;#8729;6H2O and 1b&amp;amp;#8729;3CH3OH). To investigate the stability of the compounds, crystalline samples were exposed to different conditions of relative humidity (RH) and an atmosphere of methanol vapours. Successful solid-state transformation of 1a&amp;amp;#8729;6H2O into 1a-&amp;amp;alpha; was established at lower RH values, and vice versa at higher RH values, while both compounds partially transitioned to 1a-&amp;amp;beta; in the atmosphere of methanol vapours. Compound 1b&amp;amp;#8729;3CH3OH decomposed spontaneously into 1a-&amp;amp;alpha; by standing in the air. All of the investigated structural transformations were underpinned with proposed mechanisms. Additionally, 1a-&amp;amp;alpha; showed moderate in vitro antiproliferative activity toward a human breast cancer cell line (MCF-7), a human colon cancer cell line (HCT116), and a human lung cancer cell line (H460).</p> ]]></content:encoded> <dc:title>Atmosphere-Controlled Solvatomorphic Transitions of Ternary Copper(II) Coordination Compounds in Solid State</dc:title> <dc:creator>Darko Vu拧ak</dc:creator> <dc:creator>Matea Primo啪i膰</dc:creator> <dc:creator>Biserka Prugove膷ki</dc:creator> <dc:identifier>doi: 10.3390/cryst14110986</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-15</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-15</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>986</prism:startingPage> <prism:doi>10.3390/cryst14110986</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/986</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/985"> <title>Crystals, Vol. 14, Pages 985: Preliminary Spectroscopic Observations of Marble-Hosted Rubies, Marginal Host Marbles, and Transition Zones Between Marbles and Rubies on Samples from Afghanistan, Myanmar, and Pakistan</title> <link>https://www.mdpi.com/2073-4352/14/11/985</link> <description>This study focusses on the spectroscopic observation of marbles, rubies and the transition zone between ruby and its hosted marble that may distinguish the origin of ruby. Samples of ruby-bearing marble were obtained from Afghanistan, Myanmar, and Pakistan. Energy-dispersive X-ray fluorescence was used to analyze the chemical compositions. Although the content of other elements in the marble varied with the origin, the Cl content was quite constant. A diagram of the trace elements Fe and Ga was used to determine the origins of the marble-hosted rubies. X-ray diffraction was used to verify the structure phases, where trioctahedral mica, plagioclase, quartz, and alkali feldspar were found in marbles. Ultraviolet&amp;amp;ndash;visible spectrophotometry was used for rubies, where a 659 nm fluoresce peak was found in the Myanmar ruby sample, which could make Myanmar ruby redder and more sought after. The bonding of elements and inclusions of the samples were analyzed using Fourier transform infrared spectroscopy, Raman spectroscopy, and photoluminescence. A FTIR peak at 630 cm&amp;amp;minus;1 is found to be useful in judging the temperature of ruby formation. Scanning electron microscopy and energy-dispersive X-ray spectroscopy were used to analyze the variation of the transition zone, which revealed that the boundary was a gradation zone. Concentrations of Al203 increased in this zone, but CaCO3 concentrations decreased.</description> <pubDate>2024-11-15</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 985: Preliminary Spectroscopic Observations of Marble-Hosted Rubies, Marginal Host Marbles, and Transition Zones Between Marbles and Rubies on Samples from Afghanistan, Myanmar, and Pakistan</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/985">doi: 10.3390/cryst14110985</a></p> <p>Authors: Chen Fan Yung-Chin Ding Wing-Tak Lui </p> <p>This study focusses on the spectroscopic observation of marbles, rubies and the transition zone between ruby and its hosted marble that may distinguish the origin of ruby. Samples of ruby-bearing marble were obtained from Afghanistan, Myanmar, and Pakistan. Energy-dispersive X-ray fluorescence was used to analyze the chemical compositions. Although the content of other elements in the marble varied with the origin, the Cl content was quite constant. A diagram of the trace elements Fe and Ga was used to determine the origins of the marble-hosted rubies. X-ray diffraction was used to verify the structure phases, where trioctahedral mica, plagioclase, quartz, and alkali feldspar were found in marbles. Ultraviolet&amp;amp;ndash;visible spectrophotometry was used for rubies, where a 659 nm fluoresce peak was found in the Myanmar ruby sample, which could make Myanmar ruby redder and more sought after. The bonding of elements and inclusions of the samples were analyzed using Fourier transform infrared spectroscopy, Raman spectroscopy, and photoluminescence. A FTIR peak at 630 cm&amp;amp;minus;1 is found to be useful in judging the temperature of ruby formation. Scanning electron microscopy and energy-dispersive X-ray spectroscopy were used to analyze the variation of the transition zone, which revealed that the boundary was a gradation zone. Concentrations of Al203 increased in this zone, but CaCO3 concentrations decreased.</p> ]]></content:encoded> <dc:title>Preliminary Spectroscopic Observations of Marble-Hosted Rubies, Marginal Host Marbles, and Transition Zones Between Marbles and Rubies on Samples from Afghanistan, Myanmar, and Pakistan</dc:title> <dc:creator>Chen Fan</dc:creator> <dc:creator>Yung-Chin Ding</dc:creator> <dc:creator>Wing-Tak Lui</dc:creator> <dc:identifier>doi: 10.3390/cryst14110985</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-15</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-15</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>985</prism:startingPage> <prism:doi>10.3390/cryst14110985</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/985</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/984"> <title>Crystals, Vol. 14, Pages 984: Performance Enhancement of MoSe2 and WSe2 Based Junction Field Effect Transistors with Gate-All-Around Structure</title> <link>https://www.mdpi.com/2073-4352/14/11/984</link> <description>Recently, two-dimensional materials have gained significant attention due to their outstanding properties such as high charge mobility, mechanical strength, and electrical characteristics. These materials are considered one of the most promising solutions to overcome the limitations of semiconductor technology and are being utilized in various semiconductor device research. In particular, molybdenum diselenide (MoSe2) and tungsten diselenide (WSe2) are actively being developed for device applications due to their high electron mobility, optical properties, and electrical characteristics. In this study, we fabricated MoSe2 and WSe2-based junction field-effect transistors (JFET) and further deposited two-dimensional materials on the same device to fabricate and compare JFETs with a gate-all-around (GAA) structure. The research results showed that the GAA-structure JFET exhibited performance improvements in drain current, subthreshold swing (SS) transconductance (gm), and mobility, achieving enhancements ranging from a minimum of 1.2 times to a maximum of 10 times compared to conventional JFET.</description> <pubDate>2024-11-15</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 984: Performance Enhancement of MoSe2 and WSe2 Based Junction Field Effect Transistors with Gate-All-Around Structure</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/984">doi: 10.3390/cryst14110984</a></p> <p>Authors: Changlim Woo Abdelkader Abderrahmane Pangum Jung Pilju Ko </p> <p>Recently, two-dimensional materials have gained significant attention due to their outstanding properties such as high charge mobility, mechanical strength, and electrical characteristics. These materials are considered one of the most promising solutions to overcome the limitations of semiconductor technology and are being utilized in various semiconductor device research. In particular, molybdenum diselenide (MoSe2) and tungsten diselenide (WSe2) are actively being developed for device applications due to their high electron mobility, optical properties, and electrical characteristics. In this study, we fabricated MoSe2 and WSe2-based junction field-effect transistors (JFET) and further deposited two-dimensional materials on the same device to fabricate and compare JFETs with a gate-all-around (GAA) structure. The research results showed that the GAA-structure JFET exhibited performance improvements in drain current, subthreshold swing (SS) transconductance (gm), and mobility, achieving enhancements ranging from a minimum of 1.2 times to a maximum of 10 times compared to conventional JFET.</p> ]]></content:encoded> <dc:title>Performance Enhancement of MoSe2 and WSe2 Based Junction Field Effect Transistors with Gate-All-Around Structure</dc:title> <dc:creator>Changlim Woo</dc:creator> <dc:creator>Abdelkader Abderrahmane</dc:creator> <dc:creator>Pangum Jung</dc:creator> <dc:creator>Pilju Ko</dc:creator> <dc:identifier>doi: 10.3390/cryst14110984</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-15</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-15</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>984</prism:startingPage> <prism:doi>10.3390/cryst14110984</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/984</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/983"> <title>Crystals, Vol. 14, Pages 983: Creep Behavior of a Single Crystal Nickel-Based Superalloy Containing High Concentrations of Re/Ru at an Intermediate Temperature</title> <link>https://www.mdpi.com/2073-4352/14/11/983</link> <description>The deformation and damage mechanisms of a single crystal nickel-based superalloy containing 6.0%Re/5.0%Ru were studied through creep performance tests at 800 &amp;amp;deg;C/860&amp;amp;ndash;880 MPa, microstructure and morphology observation, and dislocation configuration analyzation. It was found that, during the creep process at the intermediate temperature, the &amp;amp;gamma;&amp;amp;prime; phase does not form a raft-like structure. After a creep fracture, the distortion degree of the cubic &amp;amp;gamma;&amp;amp;prime; phase becomes greater when the observation region is closer to the fracture. The alloy has a long creep life at 800 &amp;amp;deg;C, and the dislocation slipping or climbing in the &amp;amp;gamma; matrix is the deformation mechanism at the early and middle creep stages. At the later creep stage, the &amp;amp;gamma;&amp;amp;prime; phase is sheared by dislocations. Because of the low stacking-fault energy of the alloy, the &amp;amp;lt;110&amp;amp;gt; superdislocation shearing into the &amp;amp;gamma;&amp;amp;prime; phase can decompose on the {111} plane to form a (1/3) &amp;amp;lt;112&amp;amp;gt; partial dislocation and stacking-fault configuration or cross-slip to the {100} plane to form the Kear&amp;amp;ndash;Wilsdorf (K-W) lock, which greatly improves the creep resistance of the alloy. At the later creep stage, the primary/secondary slip systems in the alloy are activated alternately, resulting in micro-cracks at the intersection of the two slip systems. As the creep progresses, the initiated cracks spread and propagate in the &amp;amp;gamma; matrix phase along a direction normal to the stress axis and connect with each other until creep fracture occurs. This is the fracture mechanism of the alloy during creep at the medium temperature.</description> <pubDate>2024-11-14</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 983: Creep Behavior of a Single Crystal Nickel-Based Superalloy Containing High Concentrations of Re/Ru at an Intermediate Temperature</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/983">doi: 10.3390/cryst14110983</a></p> <p>Authors: Ning Tian Tai Meng Shulei Sun Shunke Zhang Danping Dang </p> <p>The deformation and damage mechanisms of a single crystal nickel-based superalloy containing 6.0%Re/5.0%Ru were studied through creep performance tests at 800 &amp;amp;deg;C/860&amp;amp;ndash;880 MPa, microstructure and morphology observation, and dislocation configuration analyzation. It was found that, during the creep process at the intermediate temperature, the &amp;amp;gamma;&amp;amp;prime; phase does not form a raft-like structure. After a creep fracture, the distortion degree of the cubic &amp;amp;gamma;&amp;amp;prime; phase becomes greater when the observation region is closer to the fracture. The alloy has a long creep life at 800 &amp;amp;deg;C, and the dislocation slipping or climbing in the &amp;amp;gamma; matrix is the deformation mechanism at the early and middle creep stages. At the later creep stage, the &amp;amp;gamma;&amp;amp;prime; phase is sheared by dislocations. Because of the low stacking-fault energy of the alloy, the &amp;amp;lt;110&amp;amp;gt; superdislocation shearing into the &amp;amp;gamma;&amp;amp;prime; phase can decompose on the {111} plane to form a (1/3) &amp;amp;lt;112&amp;amp;gt; partial dislocation and stacking-fault configuration or cross-slip to the {100} plane to form the Kear&amp;amp;ndash;Wilsdorf (K-W) lock, which greatly improves the creep resistance of the alloy. At the later creep stage, the primary/secondary slip systems in the alloy are activated alternately, resulting in micro-cracks at the intersection of the two slip systems. As the creep progresses, the initiated cracks spread and propagate in the &amp;amp;gamma; matrix phase along a direction normal to the stress axis and connect with each other until creep fracture occurs. This is the fracture mechanism of the alloy during creep at the medium temperature.</p> ]]></content:encoded> <dc:title>Creep Behavior of a Single Crystal Nickel-Based Superalloy Containing High Concentrations of Re/Ru at an Intermediate Temperature</dc:title> <dc:creator>Ning Tian</dc:creator> <dc:creator>Tai Meng</dc:creator> <dc:creator>Shulei Sun</dc:creator> <dc:creator>Shunke Zhang</dc:creator> <dc:creator>Danping Dang</dc:creator> <dc:identifier>doi: 10.3390/cryst14110983</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-14</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-14</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>983</prism:startingPage> <prism:doi>10.3390/cryst14110983</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/983</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/982"> <title>Crystals, Vol. 14, Pages 982: Preparation and Study of Poly(Vinylidene Fluoride-Co-Hexafluoropropylene)-Based Composite Solid Electrolytes</title> <link>https://www.mdpi.com/2073-4352/14/11/982</link> <description>Solid-state electrolytes are widely anticipated to revitalize lithium-ion batteries with high energy density and safety. However, low ionic conductivity and high interfacial resistance at room temperature pose challenges for practical applications. This study combines the rigid oxide electrolyte LLZTO with the flexible polymer electrolyte poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) to achieve effective coupling of rigidity and flexibility. The semi-interpenetrating network structure endows the PEL composite solid electrolyte with excellent lithium-ion transport capabilities, resulting in an ionic conductivity of up to 5.1 &amp;amp;times; 10&amp;amp;minus;4 S cm&amp;amp;minus;1 and lithium-ion transference number of 0.41. The assembled LiFePO4/PEL/Li solid-state battery demonstrates an initial discharge capacity of 132 mAh g&amp;amp;minus;1 at a rate of 0.1 C. After 100 charge&amp;amp;ndash;discharge cycles, the capacity retention is 81%. This research provides a promising strategy for preparing composite solid electrolytes in solid-state lithium-ion batteries.</description> <pubDate>2024-11-14</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 982: Preparation and Study of Poly(Vinylidene Fluoride-Co-Hexafluoropropylene)-Based Composite Solid Electrolytes</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/982">doi: 10.3390/cryst14110982</a></p> <p>Authors: Meihong Huang Lingxiao Lan Pengcheng Shen Zhiyong Liang Feng Wang Yuling Zhong Chaoqun Wu Fanxiao Kong Qicheng Hu </p> <p>Solid-state electrolytes are widely anticipated to revitalize lithium-ion batteries with high energy density and safety. However, low ionic conductivity and high interfacial resistance at room temperature pose challenges for practical applications. This study combines the rigid oxide electrolyte LLZTO with the flexible polymer electrolyte poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) to achieve effective coupling of rigidity and flexibility. The semi-interpenetrating network structure endows the PEL composite solid electrolyte with excellent lithium-ion transport capabilities, resulting in an ionic conductivity of up to 5.1 &amp;amp;times; 10&amp;amp;minus;4 S cm&amp;amp;minus;1 and lithium-ion transference number of 0.41. The assembled LiFePO4/PEL/Li solid-state battery demonstrates an initial discharge capacity of 132 mAh g&amp;amp;minus;1 at a rate of 0.1 C. After 100 charge&amp;amp;ndash;discharge cycles, the capacity retention is 81%. This research provides a promising strategy for preparing composite solid electrolytes in solid-state lithium-ion batteries.</p> ]]></content:encoded> <dc:title>Preparation and Study of Poly(Vinylidene Fluoride-Co-Hexafluoropropylene)-Based Composite Solid Electrolytes</dc:title> <dc:creator>Meihong Huang</dc:creator> <dc:creator>Lingxiao Lan</dc:creator> <dc:creator>Pengcheng Shen</dc:creator> <dc:creator>Zhiyong Liang</dc:creator> <dc:creator>Feng Wang</dc:creator> <dc:creator>Yuling Zhong</dc:creator> <dc:creator>Chaoqun Wu</dc:creator> <dc:creator>Fanxiao Kong</dc:creator> <dc:creator>Qicheng Hu</dc:creator> <dc:identifier>doi: 10.3390/cryst14110982</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-14</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-14</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>982</prism:startingPage> <prism:doi>10.3390/cryst14110982</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/982</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/981"> <title>Crystals, Vol. 14, Pages 981: Structural, Optical, Magnetic, and Dielectric Investigations of Pure and Co-Doped La0.67Sr0.33Mn1-x-yZnxCoyO3 Manganites with (0.00 &amp;lt; x + y &amp;lt; 0.20)</title> <link>https://www.mdpi.com/2073-4352/14/11/981</link> <description>Here, we report the structural, optical, magnetic, and dielectric properties of La0.67Sr0.33Mn1-x-yZnxCoyO3 manganite with various x and y values (0.025 &amp;amp;lt; x + y &amp;amp;lt; 0.20). The pure and co-doped samples are called S1, S2, S3, S4, and S5, with (x + y) = 0.00, 0.025, 0.05, 0.10, and 0.20, respectively. The XRD confirmed a monoclinic structure for all the samples, such that the unit cell volume and the size of the crystallite and grain were generally decreased by increasing the co-doping content (x + y). The opposite was true for the behaviors of the porosity, the Debye temperature, and the elastic modulus. The energy gap Eg was 3.85 eV for S1, but it decreased to 3.82, 3.75, and 3.65 eV for S2, S5, and S3. Meanwhile, it increased and went to its maximum value of 3.95 eV for S4. The values of the single and dispersion energies (Eo, Ed) were 9.55 and 41.88 eV for S1, but they were decreased by co-doping. The samples exhibited paramagnetic behaviors at 300 K, but they showed ferromagnetic behaviors at 10 K. For both temperatures, the saturated magnetizations (Ms) were increased by increasing the co-doping content and they reached their maximum values of 1.27 and 15.08 (emu/g) for S4. At 300 K, the co-doping changed the magnetic material from hard to soft, but it changed from soft to hard at 10 K. In field cooling (FC), the samples showed diamagnetic regime behavior (M &amp;amp;lt; 0) below 80 K, but this behavior was completely absent for zero field cooling (ZFC). In parallel, co-doping of up to 0.10 (S4) decreased the dielectric constant, AC conductivity, and effective capacitance, whereas the electric modulus, impedance, and bulk resistance were increased. The analysis of the electric modulus showed the presence of relaxation peaks for all the samples. These outcomes show a good correlation between the different properties and indicate that co-doping of up to 0.10 of Zn and Co in place of Mn in La:113 compounds is beneficial for elastic deformation, optoelectronics, Li-batteries, and spintronic devices.</description> <pubDate>2024-11-14</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 981: Structural, Optical, Magnetic, and Dielectric Investigations of Pure and Co-Doped La0.67Sr0.33Mn1-x-yZnxCoyO3 Manganites with (0.00 &amp;lt; x + y &amp;lt; 0.20)</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/981">doi: 10.3390/cryst14110981</a></p> <p>Authors: Mansour Mohamed A. Sedky Abdullah S. Alshammari Z. R. Khan M. Bouzidi Marzook S. Alshammari </p> <p>Here, we report the structural, optical, magnetic, and dielectric properties of La0.67Sr0.33Mn1-x-yZnxCoyO3 manganite with various x and y values (0.025 &amp;amp;lt; x + y &amp;amp;lt; 0.20). The pure and co-doped samples are called S1, S2, S3, S4, and S5, with (x + y) = 0.00, 0.025, 0.05, 0.10, and 0.20, respectively. The XRD confirmed a monoclinic structure for all the samples, such that the unit cell volume and the size of the crystallite and grain were generally decreased by increasing the co-doping content (x + y). The opposite was true for the behaviors of the porosity, the Debye temperature, and the elastic modulus. The energy gap Eg was 3.85 eV for S1, but it decreased to 3.82, 3.75, and 3.65 eV for S2, S5, and S3. Meanwhile, it increased and went to its maximum value of 3.95 eV for S4. The values of the single and dispersion energies (Eo, Ed) were 9.55 and 41.88 eV for S1, but they were decreased by co-doping. The samples exhibited paramagnetic behaviors at 300 K, but they showed ferromagnetic behaviors at 10 K. For both temperatures, the saturated magnetizations (Ms) were increased by increasing the co-doping content and they reached their maximum values of 1.27 and 15.08 (emu/g) for S4. At 300 K, the co-doping changed the magnetic material from hard to soft, but it changed from soft to hard at 10 K. In field cooling (FC), the samples showed diamagnetic regime behavior (M &amp;amp;lt; 0) below 80 K, but this behavior was completely absent for zero field cooling (ZFC). In parallel, co-doping of up to 0.10 (S4) decreased the dielectric constant, AC conductivity, and effective capacitance, whereas the electric modulus, impedance, and bulk resistance were increased. The analysis of the electric modulus showed the presence of relaxation peaks for all the samples. These outcomes show a good correlation between the different properties and indicate that co-doping of up to 0.10 of Zn and Co in place of Mn in La:113 compounds is beneficial for elastic deformation, optoelectronics, Li-batteries, and spintronic devices.</p> ]]></content:encoded> <dc:title>Structural, Optical, Magnetic, and Dielectric Investigations of Pure and Co-Doped La0.67Sr0.33Mn1-x-yZnxCoyO3 Manganites with (0.00 &amp;amp;lt; x + y &amp;amp;lt; 0.20)</dc:title> <dc:creator>Mansour Mohamed</dc:creator> <dc:creator>A. Sedky</dc:creator> <dc:creator>Abdullah S. Alshammari</dc:creator> <dc:creator>Z. R. Khan</dc:creator> <dc:creator>M. Bouzidi</dc:creator> <dc:creator>Marzook S. Alshammari</dc:creator> <dc:identifier>doi: 10.3390/cryst14110981</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-14</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-14</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>981</prism:startingPage> <prism:doi>10.3390/cryst14110981</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/981</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/980"> <title>Crystals, Vol. 14, Pages 980: Micro-Computed Tomographic Evaluation of the Shaping Ability of Vortex Blue and TruNatomyTM Ni-Ti Rotary Systems</title> <link>https://www.mdpi.com/2073-4352/14/11/980</link> <description>This study aimed to assess and evaluate the canal shaping ability of two different Ni-Ti rotary systems, Vortex Blue (VB) and TruNatomy (TN), using micro-computed tomography in extracted premolars. A total of 20 extracted bifurcated maxillary first premolars with two separate canals were randomly divided into two groups and prepared with either VB 35/0.04 (Dentsply Maillefer, Ballaigues, Switzerland) or TN Medium 36/0.03 (Dentsply Sirona). Pre- and post-instrumentation micro-CT scans were analyzed to measure the following parameters: percentage of untouched canal surface area, changes in canal surface area, changes in canal volume, structural model index (SMI), changes in canal angulation, changes in dentin thickness, transportation, and centering ability. Statistical analysis was performed with a significance level set at p-value &amp;amp;lt; 0.05. Both VB and TN files showed a significant increase in the basic canal geometry parameters including canal surface area and canal volume. Both file systems showed no significant changes in SMI or dentin thickness after canal instrumentation (p &amp;amp;gt; 0.05). Some degree of canal transportation and a similar centering ability ratio with no significant difference were observed in both file systems (p &amp;amp;gt; 0.05). TN files showed less pre-cervical dentin removal when compared to VB files. A significant difference was found in the TN group regarding the dentin removal between coronal and apical thirds (p = 0.03). Both VB and TN files produced comparable root canal preparation with no considerable shaping mishaps and errors. Both files showed minimum canal transportation and minimum straightening of the canal curvature. TN files removed less pre-cervical dentin than apical dentin.</description> <pubDate>2024-11-14</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 980: Micro-Computed Tomographic Evaluation of the Shaping Ability of Vortex Blue and TruNatomyTM Ni-Ti Rotary Systems</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/980">doi: 10.3390/cryst14110980</a></p> <p>Authors: Batool Alghamdi Mey Al-Habib Mona Alsulaiman Lina Bahanan Ali Alrahlah Leonel S. J. Bautista Sarah Bukhari Mohammed Howait Loai Alsofi </p> <p>This study aimed to assess and evaluate the canal shaping ability of two different Ni-Ti rotary systems, Vortex Blue (VB) and TruNatomy (TN), using micro-computed tomography in extracted premolars. A total of 20 extracted bifurcated maxillary first premolars with two separate canals were randomly divided into two groups and prepared with either VB 35/0.04 (Dentsply Maillefer, Ballaigues, Switzerland) or TN Medium 36/0.03 (Dentsply Sirona). Pre- and post-instrumentation micro-CT scans were analyzed to measure the following parameters: percentage of untouched canal surface area, changes in canal surface area, changes in canal volume, structural model index (SMI), changes in canal angulation, changes in dentin thickness, transportation, and centering ability. Statistical analysis was performed with a significance level set at p-value &amp;amp;lt; 0.05. Both VB and TN files showed a significant increase in the basic canal geometry parameters including canal surface area and canal volume. Both file systems showed no significant changes in SMI or dentin thickness after canal instrumentation (p &amp;amp;gt; 0.05). Some degree of canal transportation and a similar centering ability ratio with no significant difference were observed in both file systems (p &amp;amp;gt; 0.05). TN files showed less pre-cervical dentin removal when compared to VB files. A significant difference was found in the TN group regarding the dentin removal between coronal and apical thirds (p = 0.03). Both VB and TN files produced comparable root canal preparation with no considerable shaping mishaps and errors. Both files showed minimum canal transportation and minimum straightening of the canal curvature. TN files removed less pre-cervical dentin than apical dentin.</p> ]]></content:encoded> <dc:title>Micro-Computed Tomographic Evaluation of the Shaping Ability of Vortex Blue and TruNatomyTM Ni-Ti Rotary Systems</dc:title> <dc:creator>Batool Alghamdi</dc:creator> <dc:creator>Mey Al-Habib</dc:creator> <dc:creator>Mona Alsulaiman</dc:creator> <dc:creator>Lina Bahanan</dc:creator> <dc:creator>Ali Alrahlah</dc:creator> <dc:creator>Leonel S. J. Bautista</dc:creator> <dc:creator>Sarah Bukhari</dc:creator> <dc:creator>Mohammed Howait</dc:creator> <dc:creator>Loai Alsofi</dc:creator> <dc:identifier>doi: 10.3390/cryst14110980</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-14</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-14</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>980</prism:startingPage> <prism:doi>10.3390/cryst14110980</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/980</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/979"> <title>Crystals, Vol. 14, Pages 979: Understanding the Interface Characteristics Between TiB2(0001) and L12-Al3Zr(001): A First-Principles Investigation</title> <link>https://www.mdpi.com/2073-4352/14/11/979</link> <description>This study employs first-principles calculation methods to explore the characteristics of the TiB2(0001)/L12-Al3Zr(001) interface, including the atomic structure, adhesion work, interfacial energy, and electronic structure of various interface models. Considering four different terminations and three different stacking positions, twelve potential interface models were investigated. Surface tests revealed that a stable interface could be formed when a 9-layer TiB2(0001) surface is combined with a 7-layer ZrAl-terminated and a 9-layer Al-terminated Al3Zr(001) surface. Among these interfaces, the bridge-site stacking at the T/Al termination (TAB), hollow-site stacking at the Ti/ZrAl termination (TZH), top-site stacking at the B/Al termination (BAT), and hollow-site stacking at the B/ZrAl termination (BZH) were identified as the optimal structures. Particularly, the TAB interface exhibits the strongest adhesion strength and the lowest surface energy, indicating the highest stability. A Detailed analysis of the electronic structure further reveals that most interfaces predominantly exhibit covalent bonding, with the TAB, TZH, and BZH interfaces primarily featuring covalent bonds, while the BAT interface displays a combination of ionic and covalent bonds. The study ultimately ranks the stability of the interfaces from highest to lowest as TAB, BZH, TZH, and BAT.</description> <pubDate>2024-11-14</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 979: Understanding the Interface Characteristics Between TiB2(0001) and L12-Al3Zr(001): A First-Principles Investigation</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/979">doi: 10.3390/cryst14110979</a></p> <p>Authors: Xingzhi Pang Loujiang Yang Hang Nong Mingjun Pang Gaobao Wang Jian Li Zhenchao Chen Wei Zeng Zhihang Xiao Zengxiang Yang Hongqun Tang </p> <p>This study employs first-principles calculation methods to explore the characteristics of the TiB2(0001)/L12-Al3Zr(001) interface, including the atomic structure, adhesion work, interfacial energy, and electronic structure of various interface models. Considering four different terminations and three different stacking positions, twelve potential interface models were investigated. Surface tests revealed that a stable interface could be formed when a 9-layer TiB2(0001) surface is combined with a 7-layer ZrAl-terminated and a 9-layer Al-terminated Al3Zr(001) surface. Among these interfaces, the bridge-site stacking at the T/Al termination (TAB), hollow-site stacking at the Ti/ZrAl termination (TZH), top-site stacking at the B/Al termination (BAT), and hollow-site stacking at the B/ZrAl termination (BZH) were identified as the optimal structures. Particularly, the TAB interface exhibits the strongest adhesion strength and the lowest surface energy, indicating the highest stability. A Detailed analysis of the electronic structure further reveals that most interfaces predominantly exhibit covalent bonding, with the TAB, TZH, and BZH interfaces primarily featuring covalent bonds, while the BAT interface displays a combination of ionic and covalent bonds. The study ultimately ranks the stability of the interfaces from highest to lowest as TAB, BZH, TZH, and BAT.</p> ]]></content:encoded> <dc:title>Understanding the Interface Characteristics Between TiB2(0001) and L12-Al3Zr(001): A First-Principles Investigation</dc:title> <dc:creator>Xingzhi Pang</dc:creator> <dc:creator>Loujiang Yang</dc:creator> <dc:creator>Hang Nong</dc:creator> <dc:creator>Mingjun Pang</dc:creator> <dc:creator>Gaobao Wang</dc:creator> <dc:creator>Jian Li</dc:creator> <dc:creator>Zhenchao Chen</dc:creator> <dc:creator>Wei Zeng</dc:creator> <dc:creator>Zhihang Xiao</dc:creator> <dc:creator>Zengxiang Yang</dc:creator> <dc:creator>Hongqun Tang</dc:creator> <dc:identifier>doi: 10.3390/cryst14110979</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-14</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-14</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>979</prism:startingPage> <prism:doi>10.3390/cryst14110979</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/979</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/978"> <title>Crystals, Vol. 14, Pages 978: Intermolecular Interactions in Molecular Ferroelectric Zinc Complexes of Cinchonine</title> <link>https://www.mdpi.com/2073-4352/14/11/978</link> <description>The use of chiral organic ligands as linkers and metal ion nodes with specific coordination geometry is an effective strategy for creating homochiral structures with potential ferroelectric properties. Natural Cinchona alkaloids, e.g., quinine and cinchonine, as compounds with a polar quinuclidine fragment and aromatic quinoline ring, are suitable candidates for the construction of molecular ferroelectrics. In this work, the compounds [CnZnCl3]&amp;amp;middot;MeOH and [CnZnBr3]&amp;amp;middot;MeOH, which crystallize in the ferroelectric polar space group P21, were prepared by reacting the cinchoninium cation (Cn) with zinc(II) chloride or zinc(II) bromide. The structure of [CnZnBr3]&amp;amp;middot;MeOH was determined from single-crystal X-ray diffraction analysis and was isostructural with the previously reported chloride analog [CnZnCl3]&amp;amp;middot;MeOH. The compounds were characterized by infrared spectroscopy, and their thermal stability was determined by thermogravimetric analysis and temperature-modulated powder X-ray diffraction experiments. The intermolecular interactions of the different cinchoninium halogenometalate complexes were evaluated and compared.</description> <pubDate>2024-11-13</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 978: Intermolecular Interactions in Molecular Ferroelectric Zinc Complexes of Cinchonine</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/978">doi: 10.3390/cryst14110978</a></p> <p>Authors: Marko O膷i膰 Lidija Andro拧 Dubraja </p> <p>The use of chiral organic ligands as linkers and metal ion nodes with specific coordination geometry is an effective strategy for creating homochiral structures with potential ferroelectric properties. Natural Cinchona alkaloids, e.g., quinine and cinchonine, as compounds with a polar quinuclidine fragment and aromatic quinoline ring, are suitable candidates for the construction of molecular ferroelectrics. In this work, the compounds [CnZnCl3]&amp;amp;middot;MeOH and [CnZnBr3]&amp;amp;middot;MeOH, which crystallize in the ferroelectric polar space group P21, were prepared by reacting the cinchoninium cation (Cn) with zinc(II) chloride or zinc(II) bromide. The structure of [CnZnBr3]&amp;amp;middot;MeOH was determined from single-crystal X-ray diffraction analysis and was isostructural with the previously reported chloride analog [CnZnCl3]&amp;amp;middot;MeOH. The compounds were characterized by infrared spectroscopy, and their thermal stability was determined by thermogravimetric analysis and temperature-modulated powder X-ray diffraction experiments. The intermolecular interactions of the different cinchoninium halogenometalate complexes were evaluated and compared.</p> ]]></content:encoded> <dc:title>Intermolecular Interactions in Molecular Ferroelectric Zinc Complexes of Cinchonine</dc:title> <dc:creator>Marko O膷i膰</dc:creator> <dc:creator>Lidija Andro拧 Dubraja</dc:creator> <dc:identifier>doi: 10.3390/cryst14110978</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-13</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-13</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>978</prism:startingPage> <prism:doi>10.3390/cryst14110978</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/978</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/977"> <title>Crystals, Vol. 14, Pages 977: Solution Strengthening and Short-Range Order in Cold-Drawn Pearlitic Steel Wires</title> <link>https://www.mdpi.com/2073-4352/14/11/977</link> <description>Pearlitic steel rods are subjected to cold-drawing processes to produce pearlitic steel wires with true strains ranging from 0.81 to 2.18. Tensile tests are utilized to attain mechanical properties of cold-drawn pearlitic steel wires. TEM and XRD investigations were performed on the microstructure of the cold-drawn steel wires. With an increasing cold-drawn strain, both the interlamellar spacing and cementite lamellae thickness decrease, while the dislocation density significantly increases. The drawn wire has a tensile strength of 2170 MPa when the true stain reaches 2.18. Deformation-induced cementite dissolution occurs during cold-drawing progress, which releases many C atoms. The findings indicate that the supersaturation of C is heterogeneously distributed in the ferrite matrix. The ordered distribution of the released C in ferrite phases creates short-range order (SRO). SRO clusters and disordered Cottrell atmospheres contribute to solution strengthening, which, together with dislocation strengthening and interlamellar boundary strengthening, form an effective strengthening mechanism in cold-drawn pearlitic steel wires. Our work provides new insights into carbon redistribution and the mechanism of solution strengthening within ferrous phases.</description> <pubDate>2024-11-13</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 977: Solution Strengthening and Short-Range Order in Cold-Drawn Pearlitic Steel Wires</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/977">doi: 10.3390/cryst14110977</a></p> <p>Authors: Gang Zhao Jianyu Jiao Yan Wu Fengmei Bai Hongwei Zhou Jun Xue Yixuan Zhu Guangwen Zheng </p> <p>Pearlitic steel rods are subjected to cold-drawing processes to produce pearlitic steel wires with true strains ranging from 0.81 to 2.18. Tensile tests are utilized to attain mechanical properties of cold-drawn pearlitic steel wires. TEM and XRD investigations were performed on the microstructure of the cold-drawn steel wires. With an increasing cold-drawn strain, both the interlamellar spacing and cementite lamellae thickness decrease, while the dislocation density significantly increases. The drawn wire has a tensile strength of 2170 MPa when the true stain reaches 2.18. Deformation-induced cementite dissolution occurs during cold-drawing progress, which releases many C atoms. The findings indicate that the supersaturation of C is heterogeneously distributed in the ferrite matrix. The ordered distribution of the released C in ferrite phases creates short-range order (SRO). SRO clusters and disordered Cottrell atmospheres contribute to solution strengthening, which, together with dislocation strengthening and interlamellar boundary strengthening, form an effective strengthening mechanism in cold-drawn pearlitic steel wires. Our work provides new insights into carbon redistribution and the mechanism of solution strengthening within ferrous phases.</p> ]]></content:encoded> <dc:title>Solution Strengthening and Short-Range Order in Cold-Drawn Pearlitic Steel Wires</dc:title> <dc:creator>Gang Zhao</dc:creator> <dc:creator>Jianyu Jiao</dc:creator> <dc:creator>Yan Wu</dc:creator> <dc:creator>Fengmei Bai</dc:creator> <dc:creator>Hongwei Zhou</dc:creator> <dc:creator>Jun Xue</dc:creator> <dc:creator>Yixuan Zhu</dc:creator> <dc:creator>Guangwen Zheng</dc:creator> <dc:identifier>doi: 10.3390/cryst14110977</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-13</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-13</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>977</prism:startingPage> <prism:doi>10.3390/cryst14110977</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/977</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/976"> <title>Crystals, Vol. 14, Pages 976: On the Peculiarities of Wire-Feed Electron Beam Additive Manufacturing (WEBAM) of Nickel Alloy&amp;ndash;Copper Bimetal Nozzle Samples</title> <link>https://www.mdpi.com/2073-4352/14/11/976</link> <description>In order to gain insight into the unique characteristics of manufacturing large-scale products with intricate geometries, experimental nozzle-shaped samples were created using wire-feed electron beam additive technology. Bimetal samples were fabricated from nickel-based alloy and copper. Two distinct approaches were employed, utilizing varying substrate thicknesses and differing fabrication parameters. The two approaches were the subject of analysis and comparison through the examination of the surface morphology of the samples using optical microscopy, scanning electron microscopy, and X-ray diffraction analysis. It has been demonstrated that the variation in heat flux distributions resulting from varying the substrate thicknesses gives rise to the development of disparate angles of grain boundary orientation relative to the substrate. Furthermore, it is demonstrated that suboptimal choice of the fabrication parameters results in large disparities in the crystallization times, both at the level of sample as a whole and within the same material volume. For example, for the sample manufacturing by Mode I, the macrostructure of the layers is distinguished by the presence of non-uniformity in their geometric dimensions and the presence of unmelted wire fragments. In order to characterize the experimental nozzle-shaped samples, microhardness was measured, uniaxial tensile tests were performed, and thermal diffusivity was determined. The microhardness profiles and the mechanical properties exhibit a higher degree of strength than those observed in pure copper samples and a lower degree of strength than those observed in Inconel 625 samples obtained through the same methodology. The thermal diffusivity values of the samples are sufficiently close to one another and align with the properties of the corresponding materials in their state after casting or rolling. The data discussed above indicate that Mode II yields the optimal mechanical properties of the sample due to the high cooling rate, which influences the structural and phase state of the resulting products. It was thus concluded that the experimental samples grown by Mode II on a thinner substrate exhibited the best formability.</description> <pubDate>2024-11-13</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 976: On the Peculiarities of Wire-Feed Electron Beam Additive Manufacturing (WEBAM) of Nickel Alloy&amp;ndash;Copper Bimetal Nozzle Samples</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/976">doi: 10.3390/cryst14110976</a></p> <p>Authors: Kseniya Osipovich Vyacheslav Semenchuk Andrey Chumaevskii Denis Gurianov Alexander M. Korsunsky Valery Rubtsov Evgeny Kolubaev </p> <p>In order to gain insight into the unique characteristics of manufacturing large-scale products with intricate geometries, experimental nozzle-shaped samples were created using wire-feed electron beam additive technology. Bimetal samples were fabricated from nickel-based alloy and copper. Two distinct approaches were employed, utilizing varying substrate thicknesses and differing fabrication parameters. The two approaches were the subject of analysis and comparison through the examination of the surface morphology of the samples using optical microscopy, scanning electron microscopy, and X-ray diffraction analysis. It has been demonstrated that the variation in heat flux distributions resulting from varying the substrate thicknesses gives rise to the development of disparate angles of grain boundary orientation relative to the substrate. Furthermore, it is demonstrated that suboptimal choice of the fabrication parameters results in large disparities in the crystallization times, both at the level of sample as a whole and within the same material volume. For example, for the sample manufacturing by Mode I, the macrostructure of the layers is distinguished by the presence of non-uniformity in their geometric dimensions and the presence of unmelted wire fragments. In order to characterize the experimental nozzle-shaped samples, microhardness was measured, uniaxial tensile tests were performed, and thermal diffusivity was determined. The microhardness profiles and the mechanical properties exhibit a higher degree of strength than those observed in pure copper samples and a lower degree of strength than those observed in Inconel 625 samples obtained through the same methodology. The thermal diffusivity values of the samples are sufficiently close to one another and align with the properties of the corresponding materials in their state after casting or rolling. The data discussed above indicate that Mode II yields the optimal mechanical properties of the sample due to the high cooling rate, which influences the structural and phase state of the resulting products. It was thus concluded that the experimental samples grown by Mode II on a thinner substrate exhibited the best formability.</p> ]]></content:encoded> <dc:title>On the Peculiarities of Wire-Feed Electron Beam Additive Manufacturing (WEBAM) of Nickel Alloy&amp;amp;ndash;Copper Bimetal Nozzle Samples</dc:title> <dc:creator>Kseniya Osipovich</dc:creator> <dc:creator>Vyacheslav Semenchuk</dc:creator> <dc:creator>Andrey Chumaevskii</dc:creator> <dc:creator>Denis Gurianov</dc:creator> <dc:creator>Alexander M. Korsunsky</dc:creator> <dc:creator>Valery Rubtsov</dc:creator> <dc:creator>Evgeny Kolubaev</dc:creator> <dc:identifier>doi: 10.3390/cryst14110976</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-13</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-13</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>976</prism:startingPage> <prism:doi>10.3390/cryst14110976</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/976</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/975"> <title>Crystals, Vol. 14, Pages 975: Modification of Ceritinib Crystal Morphology via Spherical Crystallization</title> <link>https://www.mdpi.com/2073-4352/14/11/975</link> <description>The formulation process for some drugs can be challenging, due to their unfavorable physical and mechanical properties and poor water solubility. Powder technology has made a significant impact in regard to the modification of the particles in active pharmaceutical ingredients (APIs) to produce high-quality granules. Spherical particles are preferred over other shapes, due to their high tap and bulk density, reduced dustiness, better flowability, strong anti-caking properties, and better mechanical performance during tableting. The present study investigates the possibility of obtaining spherical crystals of ceritinib, a drug used for the treatment of anaplastic lymphoma kinase (ALK)-positive advanced non-small cell lung cancer, which belongs to BCS class IV drugs and has a platy crystal shape. Ceritinib spheres were prepared by spherical agglomeration, in a ternary system, and quasi-emulsion solvent diffusion, with the addition of polyvinylpyrrolidone, as well as a combination of these two methods. With the combined method of spherical crystallization, crystals with the most favorable morphology and the narrowest distribution of particle sizes were obtained, which was the reason for further optimization. The influence of different impeller geometries and mixing rates on the morphology of the obtained crystals was examined and the optimal conditions for the process were selected. Using empirical correlations and a visual criterion, the process was scaled up from a 0.1 L to a 1 L batch crystallizer. The obtained crystals were characterized by light and scanning electron microscopy. The addition of a bridging liquid and/or a polymer additive did not change the internal structure of the ceritinib crystals, which was confirmed by X-ray powder diffraction.</description> <pubDate>2024-11-12</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 975: Modification of Ceritinib Crystal Morphology via Spherical Crystallization</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/975">doi: 10.3390/cryst14110975</a></p> <p>Authors: Iva Zoki膰 Jasna Prli膰 Kardum Lana Crnac Mirta Sabol Juraj Vui膰 Valentina Travan膷i膰 </p> <p>The formulation process for some drugs can be challenging, due to their unfavorable physical and mechanical properties and poor water solubility. Powder technology has made a significant impact in regard to the modification of the particles in active pharmaceutical ingredients (APIs) to produce high-quality granules. Spherical particles are preferred over other shapes, due to their high tap and bulk density, reduced dustiness, better flowability, strong anti-caking properties, and better mechanical performance during tableting. The present study investigates the possibility of obtaining spherical crystals of ceritinib, a drug used for the treatment of anaplastic lymphoma kinase (ALK)-positive advanced non-small cell lung cancer, which belongs to BCS class IV drugs and has a platy crystal shape. Ceritinib spheres were prepared by spherical agglomeration, in a ternary system, and quasi-emulsion solvent diffusion, with the addition of polyvinylpyrrolidone, as well as a combination of these two methods. With the combined method of spherical crystallization, crystals with the most favorable morphology and the narrowest distribution of particle sizes were obtained, which was the reason for further optimization. The influence of different impeller geometries and mixing rates on the morphology of the obtained crystals was examined and the optimal conditions for the process were selected. Using empirical correlations and a visual criterion, the process was scaled up from a 0.1 L to a 1 L batch crystallizer. The obtained crystals were characterized by light and scanning electron microscopy. The addition of a bridging liquid and/or a polymer additive did not change the internal structure of the ceritinib crystals, which was confirmed by X-ray powder diffraction.</p> ]]></content:encoded> <dc:title>Modification of Ceritinib Crystal Morphology via Spherical Crystallization</dc:title> <dc:creator>Iva Zoki膰</dc:creator> <dc:creator>Jasna Prli膰 Kardum</dc:creator> <dc:creator>Lana Crnac</dc:creator> <dc:creator>Mirta Sabol</dc:creator> <dc:creator>Juraj Vui膰</dc:creator> <dc:creator>Valentina Travan膷i膰</dc:creator> <dc:identifier>doi: 10.3390/cryst14110975</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-12</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-12</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>975</prism:startingPage> <prism:doi>10.3390/cryst14110975</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/975</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/974"> <title>Crystals, Vol. 14, Pages 974: Evaluation of Structural Transition Joints Cu-Al-AlMg3 Used in Galvanizer Hangers</title> <link>https://www.mdpi.com/2073-4352/14/11/974</link> <description>The paper deals with the evaluation of the quality of Cu-Al-AlMg3 structural transition joints (STJ) made by explosion welding proposed for the renovation of galvanizer hangers. The three-layer joint consisted of electrolytic copper with a thickness of 25 mm, 2 mm of aluminium represented by the AW1050 alloy, and 25 mm of the EN AW 575 aluminium alloy. Light microscopy analysis confirmed the wavy pattern of both interfaces of the welded joint and significant plastic deformation in close proximity to the waves. Microhardness measurement revealed a partial strain hardening of the AW5754 copper-aluminium alloy near the interface and a significant increase in microhardness in the vortex zone of waves, reaching a value of up to 863 HV 0.025. Microcracks were also observed in these places. The intermetallic phase Al2Cu was identified in the vortex zones by XRD analysis. As a continuous layer of intermetallic phase was not observed in the interface of the welded joint, it is possible to consider the used welding parameters as appropriate. A semi-quantitative EDX analysis revealed a diversity of chemical composition in the vortex zones, which does not correspond to the phase composition based on the equilibrium binary Al-Cu diagram due to non-equilibrium conditions in the formation of the welded joint interface. The bond strength of three-layer welded joint evaluated by the strength test ranged from 151 to 171 MPa, which represented approximately a two-fold increase in comparison to the ultimate tensile strength of alloy AW1050, while the failure occurred in all samples at the AW1050-AW5754 alloy interface.</description> <pubDate>2024-11-12</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 974: Evaluation of Structural Transition Joints Cu-Al-AlMg3 Used in Galvanizer Hangers</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/974">doi: 10.3390/cryst14110974</a></p> <p>Authors: Milan Mar么nek Jozef B谩rta Katar铆na B谩rtov谩 Miroslav Sahul Martin Sahul Matej Pa拧谩k Petr Nesvadba Petr Bezdi膷ka </p> <p>The paper deals with the evaluation of the quality of Cu-Al-AlMg3 structural transition joints (STJ) made by explosion welding proposed for the renovation of galvanizer hangers. The three-layer joint consisted of electrolytic copper with a thickness of 25 mm, 2 mm of aluminium represented by the AW1050 alloy, and 25 mm of the EN AW 575 aluminium alloy. Light microscopy analysis confirmed the wavy pattern of both interfaces of the welded joint and significant plastic deformation in close proximity to the waves. Microhardness measurement revealed a partial strain hardening of the AW5754 copper-aluminium alloy near the interface and a significant increase in microhardness in the vortex zone of waves, reaching a value of up to 863 HV 0.025. Microcracks were also observed in these places. The intermetallic phase Al2Cu was identified in the vortex zones by XRD analysis. As a continuous layer of intermetallic phase was not observed in the interface of the welded joint, it is possible to consider the used welding parameters as appropriate. A semi-quantitative EDX analysis revealed a diversity of chemical composition in the vortex zones, which does not correspond to the phase composition based on the equilibrium binary Al-Cu diagram due to non-equilibrium conditions in the formation of the welded joint interface. The bond strength of three-layer welded joint evaluated by the strength test ranged from 151 to 171 MPa, which represented approximately a two-fold increase in comparison to the ultimate tensile strength of alloy AW1050, while the failure occurred in all samples at the AW1050-AW5754 alloy interface.</p> ]]></content:encoded> <dc:title>Evaluation of Structural Transition Joints Cu-Al-AlMg3 Used in Galvanizer Hangers</dc:title> <dc:creator>Milan Mar么nek</dc:creator> <dc:creator>Jozef B谩rta</dc:creator> <dc:creator>Katar铆na B谩rtov谩</dc:creator> <dc:creator>Miroslav Sahul</dc:creator> <dc:creator>Martin Sahul</dc:creator> <dc:creator>Matej Pa拧谩k</dc:creator> <dc:creator>Petr Nesvadba</dc:creator> <dc:creator>Petr Bezdi膷ka</dc:creator> <dc:identifier>doi: 10.3390/cryst14110974</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-12</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-12</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>974</prism:startingPage> <prism:doi>10.3390/cryst14110974</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/974</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/973"> <title>Crystals, Vol. 14, Pages 973: Effect of Oxide&amp;rsquo;s Thermophysical Properties on 2205 Duplex Stainless Steels ATIG Welds</title> <link>https://www.mdpi.com/2073-4352/14/11/973</link> <description>Duplex stainless-steel grade 2205 (2205 DSS) is the most widely used of the current duplex materials. The duplex steel alloy is characterized by high strength and high corrosion resistance through enhancing nitrogen and molybdenum contents. The activated tungsten inert gas (ATIG) welding technique uses the same equipment as tungsten inert gas (TIG), but prior to the welding operation, a thin layer of flux is deposited. Activation fluxes are known to influence the shape and energy characteristics of the arc. They promote the change in shapes and dimensions of the welds, namely, increasing the depth and narrowing the weld width. This work is dedicated to investigate the influence of the thermophysical properties of individual metal oxide fluxes on 2205 DSS welding morphology. It helps also to identify the recommended flux properties in order to perform full penetrated ATIG welds. Thirteen kinds of oxides (SiO2, TiO2, Fe2O3, Cr2O3, ZnO, Mn2O3, V2O5, MoO3, Co3O4, SrO, ZrO2, CaO, and MgO) have been tested and three current intensity levels (120, 150 and 180 A) have been considered. The results showed that the main input factors affecting the weld depth (D) were the welding current intensity with a contribution of up to 53.36%, followed by the oxides enthalpy energy with 15.05% and then by the difference between the oxides and the base metal of 2205 DSS (BM 2205 DSS) melting points with a contribution of 9.71% of the data variance. The conditions on individual oxides&amp;amp;rsquo; thermophysical properties to achieve full penetrated weld beads have been also revealed.</description> <pubDate>2024-11-10</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 973: Effect of Oxide&amp;rsquo;s Thermophysical Properties on 2205 Duplex Stainless Steels ATIG Welds</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/973">doi: 10.3390/cryst14110973</a></p> <p>Authors: Rachid Djoudjou Kamel Touileb Elawady Attia Abousoufiane Ouis Abdeljlil Chihaoui Hedhibi Hany S. Abdo Ibrahim AlBaijan </p> <p>Duplex stainless-steel grade 2205 (2205 DSS) is the most widely used of the current duplex materials. The duplex steel alloy is characterized by high strength and high corrosion resistance through enhancing nitrogen and molybdenum contents. The activated tungsten inert gas (ATIG) welding technique uses the same equipment as tungsten inert gas (TIG), but prior to the welding operation, a thin layer of flux is deposited. Activation fluxes are known to influence the shape and energy characteristics of the arc. They promote the change in shapes and dimensions of the welds, namely, increasing the depth and narrowing the weld width. This work is dedicated to investigate the influence of the thermophysical properties of individual metal oxide fluxes on 2205 DSS welding morphology. It helps also to identify the recommended flux properties in order to perform full penetrated ATIG welds. Thirteen kinds of oxides (SiO2, TiO2, Fe2O3, Cr2O3, ZnO, Mn2O3, V2O5, MoO3, Co3O4, SrO, ZrO2, CaO, and MgO) have been tested and three current intensity levels (120, 150 and 180 A) have been considered. The results showed that the main input factors affecting the weld depth (D) were the welding current intensity with a contribution of up to 53.36%, followed by the oxides enthalpy energy with 15.05% and then by the difference between the oxides and the base metal of 2205 DSS (BM 2205 DSS) melting points with a contribution of 9.71% of the data variance. The conditions on individual oxides&amp;amp;rsquo; thermophysical properties to achieve full penetrated weld beads have been also revealed.</p> ]]></content:encoded> <dc:title>Effect of Oxide&amp;amp;rsquo;s Thermophysical Properties on 2205 Duplex Stainless Steels ATIG Welds</dc:title> <dc:creator>Rachid Djoudjou</dc:creator> <dc:creator>Kamel Touileb</dc:creator> <dc:creator>Elawady Attia</dc:creator> <dc:creator>Abousoufiane Ouis</dc:creator> <dc:creator>Abdeljlil Chihaoui Hedhibi</dc:creator> <dc:creator>Hany S. Abdo</dc:creator> <dc:creator>Ibrahim AlBaijan</dc:creator> <dc:identifier>doi: 10.3390/cryst14110973</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-10</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-10</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>973</prism:startingPage> <prism:doi>10.3390/cryst14110973</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/973</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/972"> <title>Crystals, Vol. 14, Pages 972: Advancements in the Engineering Modification of Sucrose Phosphorylase</title> <link>https://www.mdpi.com/2073-4352/14/11/972</link> <description>Sucrose phosphorylase (SPase) is a member of the glycoside hydrolase family 13, catalyzing the reversible phosphorolysis of sucrose to produce &amp;amp;alpha;&amp;amp;ndash;glucose&amp;amp;ndash;1&amp;amp;ndash;phosphate and exhibiting transglycosylation activity toward multiple substrates. Its wide substrate specificity enables the synthesis of various glycosides, which are broadly applied in food, cosmetics, and pharmaceuticals. However, the industrial application of SPase is constrained by its poor thermostability and limited transglycosylation activity. Therefore, current research focuses on enhancing the thermostability and transglycosylation activity of SPase through efficient engineering strategies based on its crystal structure and catalytic mechanism. This paper systematically reviews the crystal structure and catalytic mechanism of SPase, outlines the application of protein engineering and immobilization strategies in improving the thermostability of SPase, and analyzes how modifications at key amino acid sites affect the synthesis of typical glycosylation products. It also summarizes the limitations of SPase engineering modification strategies and explores the potential of diversified approaches for SPase modification, highlighting its broad application prospects in industrial production and laying a solid foundation for further advancements in SPase engineering modification and its industrial application.</description> <pubDate>2024-11-09</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 972: Advancements in the Engineering Modification of Sucrose Phosphorylase</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/972">doi: 10.3390/cryst14110972</a></p> <p>Authors: Shuru Ma Hongyu Zhang Tingting Lou Suying Wang </p> <p>Sucrose phosphorylase (SPase) is a member of the glycoside hydrolase family 13, catalyzing the reversible phosphorolysis of sucrose to produce &amp;amp;alpha;&amp;amp;ndash;glucose&amp;amp;ndash;1&amp;amp;ndash;phosphate and exhibiting transglycosylation activity toward multiple substrates. Its wide substrate specificity enables the synthesis of various glycosides, which are broadly applied in food, cosmetics, and pharmaceuticals. However, the industrial application of SPase is constrained by its poor thermostability and limited transglycosylation activity. Therefore, current research focuses on enhancing the thermostability and transglycosylation activity of SPase through efficient engineering strategies based on its crystal structure and catalytic mechanism. This paper systematically reviews the crystal structure and catalytic mechanism of SPase, outlines the application of protein engineering and immobilization strategies in improving the thermostability of SPase, and analyzes how modifications at key amino acid sites affect the synthesis of typical glycosylation products. It also summarizes the limitations of SPase engineering modification strategies and explores the potential of diversified approaches for SPase modification, highlighting its broad application prospects in industrial production and laying a solid foundation for further advancements in SPase engineering modification and its industrial application.</p> ]]></content:encoded> <dc:title>Advancements in the Engineering Modification of Sucrose Phosphorylase</dc:title> <dc:creator>Shuru Ma</dc:creator> <dc:creator>Hongyu Zhang</dc:creator> <dc:creator>Tingting Lou</dc:creator> <dc:creator>Suying Wang</dc:creator> <dc:identifier>doi: 10.3390/cryst14110972</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-09</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-09</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Review</prism:section> <prism:startingPage>972</prism:startingPage> <prism:doi>10.3390/cryst14110972</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/972</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/971"> <title>Crystals, Vol. 14, Pages 971: Conductive Hydrogel Materials for Flexible Supercapacitor Electrodes</title> <link>https://www.mdpi.com/2073-4352/14/11/971</link> <description>Flexible supercapacitors (SCs), as promising energy storage devices, have shown great potential for both next-generation wearable electronics and addressing the global energy crisis. Conductive hydrogels (CHs) are suitable electrode materials for flexible SCs on account of their intrinsic characteristics and functional advantages, such as a unique 3D porous structure, remarkable conductivity, tunable chemical and physical properties, and outstanding mechanical properties. Herein, an overview of the fabrication strategies for CHs as electrode materials in flexible SCs, as well as their advantages and disadvantages, and perspectives on CH-based SCs is provided. First, the fabrication strategies for CHs are systematically introduced. Second, various multifunctional CH-based SCs are presented and discussed. Finally, this review concludes with insights into the challenges and opportunities related to CHs or CH-based SCs, indicating future research prospects and application orientations in this field.</description> <pubDate>2024-11-09</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 971: Conductive Hydrogel Materials for Flexible Supercapacitor Electrodes</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/971">doi: 10.3390/cryst14110971</a></p> <p>Authors: Kun Zhang Zhizhou Chen Jinling Li Gaoqiang Feng Chang Xu Jizhi Yang Wanwan Li </p> <p>Flexible supercapacitors (SCs), as promising energy storage devices, have shown great potential for both next-generation wearable electronics and addressing the global energy crisis. Conductive hydrogels (CHs) are suitable electrode materials for flexible SCs on account of their intrinsic characteristics and functional advantages, such as a unique 3D porous structure, remarkable conductivity, tunable chemical and physical properties, and outstanding mechanical properties. Herein, an overview of the fabrication strategies for CHs as electrode materials in flexible SCs, as well as their advantages and disadvantages, and perspectives on CH-based SCs is provided. First, the fabrication strategies for CHs are systematically introduced. Second, various multifunctional CH-based SCs are presented and discussed. Finally, this review concludes with insights into the challenges and opportunities related to CHs or CH-based SCs, indicating future research prospects and application orientations in this field.</p> ]]></content:encoded> <dc:title>Conductive Hydrogel Materials for Flexible Supercapacitor Electrodes</dc:title> <dc:creator>Kun Zhang</dc:creator> <dc:creator>Zhizhou Chen</dc:creator> <dc:creator>Jinling Li</dc:creator> <dc:creator>Gaoqiang Feng</dc:creator> <dc:creator>Chang Xu</dc:creator> <dc:creator>Jizhi Yang</dc:creator> <dc:creator>Wanwan Li</dc:creator> <dc:identifier>doi: 10.3390/cryst14110971</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-09</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-09</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Review</prism:section> <prism:startingPage>971</prism:startingPage> <prism:doi>10.3390/cryst14110971</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/971</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/970"> <title>Crystals, Vol. 14, Pages 970: Influence of Y2O3 Concentration on the Optical Properties of Multicomponent Glasses and Glass&amp;ndash;Ceramics</title> <link>https://www.mdpi.com/2073-4352/14/11/970</link> <description>The optical properties and structural characterization of multicomponent silicate glasses of low Al2O3 and different Y2O3 concentrations have been studied. These glasses have also been crystallized to obtain glass&amp;amp;ndash;ceramic materials, and their properties have been characterized. The obtained glasses were transparent and their refractive indexes increased with Y2O3 concentration. After a heat treatment at 930 &amp;amp;deg;C for 10 min, these glasses maintained their transparency, but a brown color appeared, and after 30 min, those glasses with high Y2O3 concentrations turned opaque or white in color. These processes of crystallization for obtaining the new glass&amp;amp;ndash;ceramics have been studied by means of FTIR and Raman spectroscopies, and the crystallized materials were characterized with XRD and FE-SEM techniques. These glasses and glass&amp;amp;ndash;ceramics have also been characterized by means of UV&amp;amp;ndash;vis spectroscopy, and the corresponding optical properties (reflectance, color, band-gap) have been determined as a function of the Y2O3 concentrations and the structural properties.</description> <pubDate>2024-11-09</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 970: Influence of Y2O3 Concentration on the Optical Properties of Multicomponent Glasses and Glass&amp;ndash;Ceramics</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/970">doi: 10.3390/cryst14110970</a></p> <p>Authors: Akram Beniaiche Nabil Belkhir Berta P茅rez-Rom谩n Juan Rubio Fausto Rubio </p> <p>The optical properties and structural characterization of multicomponent silicate glasses of low Al2O3 and different Y2O3 concentrations have been studied. These glasses have also been crystallized to obtain glass&amp;amp;ndash;ceramic materials, and their properties have been characterized. The obtained glasses were transparent and their refractive indexes increased with Y2O3 concentration. After a heat treatment at 930 &amp;amp;deg;C for 10 min, these glasses maintained their transparency, but a brown color appeared, and after 30 min, those glasses with high Y2O3 concentrations turned opaque or white in color. These processes of crystallization for obtaining the new glass&amp;amp;ndash;ceramics have been studied by means of FTIR and Raman spectroscopies, and the crystallized materials were characterized with XRD and FE-SEM techniques. These glasses and glass&amp;amp;ndash;ceramics have also been characterized by means of UV&amp;amp;ndash;vis spectroscopy, and the corresponding optical properties (reflectance, color, band-gap) have been determined as a function of the Y2O3 concentrations and the structural properties.</p> ]]></content:encoded> <dc:title>Influence of Y2O3 Concentration on the Optical Properties of Multicomponent Glasses and Glass&amp;amp;ndash;Ceramics</dc:title> <dc:creator>Akram Beniaiche</dc:creator> <dc:creator>Nabil Belkhir</dc:creator> <dc:creator>Berta P茅rez-Rom谩n</dc:creator> <dc:creator>Juan Rubio</dc:creator> <dc:creator>Fausto Rubio</dc:creator> <dc:identifier>doi: 10.3390/cryst14110970</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-09</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-09</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>970</prism:startingPage> <prism:doi>10.3390/cryst14110970</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/970</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/969"> <title>Crystals, Vol. 14, Pages 969: Investigation into the Rolling Process of 20CrNiMo/Incoloy 825 Composite Materials</title> <link>https://www.mdpi.com/2073-4352/14/11/969</link> <description>This paper is focused on the rolling finite element simulation and experimental study of 20CrNiMo/Incoloy 825 composite materials. Firstly, single-pass rolling finite element simulations of the composite materials were conducted. The effects of rolling pass reduction and rolling speed on the warpage, interface strain difference, and stress of the 20CrNiMo/Incoloy 825 composite materials were evaluated, highlighting an ideal first-pass reduction of 30% and a rolling speed of 0.117 m/s. Based on these results, rolling finite element simulations under total reduction&amp;amp;ndash;pass conditions of 65%&amp;amp;ndash;3 passes, 75%&amp;amp;ndash;4 passes, and 85%&amp;amp;ndash;5 passes were conducted on 20CrNiMo/Incoloy 825 composite materials. The rolling process was found to be optimal for a total reduction of 85%&amp;amp;ndash;5 passes based on the ratio of the vertical compressive stress experienced by the Incoloy 825-side metal to the yield strength of Incoloy 825 at 1150 &amp;amp;deg;C. Based on the results of single- and multi-pass finite element simulation experiments, microstructural observations and interface analyses were then conducted on the 20CrNiMo/Incoloy 825 composite materials after rolling. The bonding interface of the composite materials was found to be undulating, indicating good composite effects. In addition, Cr, Ni, and Fe at the interface of the composite materials exhibited a steep gradient of change, indicating trace element diffusion with a distance of 8.27 &amp;amp;mu;m in the 20CrNiMo/Incoloy 825 composite materials. Finally, the interfacial bonding mechanism of the 20CrNiMo/Incoloy 825 composite materials was studied, and the results indicate that this mechanism is based on a combination of diffusion and recrystallization bonding mechanisms.</description> <pubDate>2024-11-08</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 969: Investigation into the Rolling Process of 20CrNiMo/Incoloy 825 Composite Materials</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/969">doi: 10.3390/cryst14110969</a></p> <p>Authors: Jie Liu Hailian Gui Peng Zhang Chen Zhang Hao Liu </p> <p>This paper is focused on the rolling finite element simulation and experimental study of 20CrNiMo/Incoloy 825 composite materials. Firstly, single-pass rolling finite element simulations of the composite materials were conducted. The effects of rolling pass reduction and rolling speed on the warpage, interface strain difference, and stress of the 20CrNiMo/Incoloy 825 composite materials were evaluated, highlighting an ideal first-pass reduction of 30% and a rolling speed of 0.117 m/s. Based on these results, rolling finite element simulations under total reduction&amp;amp;ndash;pass conditions of 65%&amp;amp;ndash;3 passes, 75%&amp;amp;ndash;4 passes, and 85%&amp;amp;ndash;5 passes were conducted on 20CrNiMo/Incoloy 825 composite materials. The rolling process was found to be optimal for a total reduction of 85%&amp;amp;ndash;5 passes based on the ratio of the vertical compressive stress experienced by the Incoloy 825-side metal to the yield strength of Incoloy 825 at 1150 &amp;amp;deg;C. Based on the results of single- and multi-pass finite element simulation experiments, microstructural observations and interface analyses were then conducted on the 20CrNiMo/Incoloy 825 composite materials after rolling. The bonding interface of the composite materials was found to be undulating, indicating good composite effects. In addition, Cr, Ni, and Fe at the interface of the composite materials exhibited a steep gradient of change, indicating trace element diffusion with a distance of 8.27 &amp;amp;mu;m in the 20CrNiMo/Incoloy 825 composite materials. Finally, the interfacial bonding mechanism of the 20CrNiMo/Incoloy 825 composite materials was studied, and the results indicate that this mechanism is based on a combination of diffusion and recrystallization bonding mechanisms.</p> ]]></content:encoded> <dc:title>Investigation into the Rolling Process of 20CrNiMo/Incoloy 825 Composite Materials</dc:title> <dc:creator>Jie Liu</dc:creator> <dc:creator>Hailian Gui</dc:creator> <dc:creator>Peng Zhang</dc:creator> <dc:creator>Chen Zhang</dc:creator> <dc:creator>Hao Liu</dc:creator> <dc:identifier>doi: 10.3390/cryst14110969</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-08</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-08</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>969</prism:startingPage> <prism:doi>10.3390/cryst14110969</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/969</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/968"> <title>Crystals, Vol. 14, Pages 968: In Situ Synthesis of NPC-Cu2O/CuO/rGO Composite via Dealloying and Microwave-Assisted Hydrothermal Technique</title> <link>https://www.mdpi.com/2073-4352/14/11/968</link> <description>The nanoporous copper (NPC)-copper oxides (Cu2O/CuO)/reduced graphene oxide (rGO) composite structure was synthesized by combining the dealloying process of Cu48Zr47Al5 amorphous ribbons with a microwave-assisted hydrothermal technique at a temperature of 200 &amp;amp;deg;C. The main advantage of the microwave-assisted hydrothermal process is the oxidation of nanoporous copper together with the in situ reduction of graphene oxide to form rGO. The integration of rGO with NPC improves electrical conductivity and streamlines the process of electron transfer. This composite exhibit considerable potential in electrochemical catalysis application, due to the combined catalytic activity of NPC and the chemical reactivity of rGO. Our study relates the transition to n-type rGO in microwave-assisted hydrothermal reactions, and also the development of an electrode material suitable for electrochemical applications based on the p-p-n junction NPC-Cu2O/CuO/rGO heterostructure. To confirm the formation of the composite structure, structural, morphological, and optical techniques as XRD, SEM/EDX, UV-Vis and Raman spectroscopy were used. The composite&amp;amp;rsquo;s electrochemical properties were measured by EIS and Mott-Schottky analyses, showing a charge transfer resistance (Rp) of 250 &amp;amp;#8486; and indicating the type of the semiconductor properties. The calculated carrier densities of 4.2 &amp;amp;times; 1018 cm&amp;amp;minus;3 confirms n-type semiconductor characteristic for rGO, and 7.22 &amp;amp;times; 1018 cm&amp;amp;minus;3 for Cu2O/CuO indicating p-type characteristic.</description> <pubDate>2024-11-08</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 968: In Situ Synthesis of NPC-Cu2O/CuO/rGO Composite via Dealloying and Microwave-Assisted Hydrothermal Technique</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/968">doi: 10.3390/cryst14110968</a></p> <p>Authors: Mircea Nicolaescu Sebastian Ambrus Petru Hididis Mina Morariu (Popescu) Iosif Hulka Corina Orha Carmen Lazau Cosmin Codrean Cornelia Bandas </p> <p>The nanoporous copper (NPC)-copper oxides (Cu2O/CuO)/reduced graphene oxide (rGO) composite structure was synthesized by combining the dealloying process of Cu48Zr47Al5 amorphous ribbons with a microwave-assisted hydrothermal technique at a temperature of 200 &amp;amp;deg;C. The main advantage of the microwave-assisted hydrothermal process is the oxidation of nanoporous copper together with the in situ reduction of graphene oxide to form rGO. The integration of rGO with NPC improves electrical conductivity and streamlines the process of electron transfer. This composite exhibit considerable potential in electrochemical catalysis application, due to the combined catalytic activity of NPC and the chemical reactivity of rGO. Our study relates the transition to n-type rGO in microwave-assisted hydrothermal reactions, and also the development of an electrode material suitable for electrochemical applications based on the p-p-n junction NPC-Cu2O/CuO/rGO heterostructure. To confirm the formation of the composite structure, structural, morphological, and optical techniques as XRD, SEM/EDX, UV-Vis and Raman spectroscopy were used. The composite&amp;amp;rsquo;s electrochemical properties were measured by EIS and Mott-Schottky analyses, showing a charge transfer resistance (Rp) of 250 &amp;amp;#8486; and indicating the type of the semiconductor properties. The calculated carrier densities of 4.2 &amp;amp;times; 1018 cm&amp;amp;minus;3 confirms n-type semiconductor characteristic for rGO, and 7.22 &amp;amp;times; 1018 cm&amp;amp;minus;3 for Cu2O/CuO indicating p-type characteristic.</p> ]]></content:encoded> <dc:title>In Situ Synthesis of NPC-Cu2O/CuO/rGO Composite via Dealloying and Microwave-Assisted Hydrothermal Technique</dc:title> <dc:creator>Mircea Nicolaescu</dc:creator> <dc:creator>Sebastian Ambrus</dc:creator> <dc:creator>Petru Hididis</dc:creator> <dc:creator>Mina Morariu (Popescu)</dc:creator> <dc:creator>Iosif Hulka</dc:creator> <dc:creator>Corina Orha</dc:creator> <dc:creator>Carmen Lazau</dc:creator> <dc:creator>Cosmin Codrean</dc:creator> <dc:creator>Cornelia Bandas</dc:creator> <dc:identifier>doi: 10.3390/cryst14110968</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-08</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-08</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>968</prism:startingPage> <prism:doi>10.3390/cryst14110968</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/968</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/967"> <title>Crystals, Vol. 14, Pages 967: High-Pressure Monosulfide Solid Solution FexNi1&amp;minus;xS Phases: X-Ray Diffraction Analysis and Raman Spectroscopy</title> <link>https://www.mdpi.com/2073-4352/14/11/967</link> <description>High-pressure high-temperature (HPHT) crystalline monosulfide solid solution (Mss) phases (FexNi1&amp;amp;minus;xS, x = 0.90, 0.75, 0.50, 0.25), troilite (FeS I), and &amp;amp;alpha;-NiS of the Fe-Ni-S system were synthesized at 7 GPa and 900&amp;amp;ndash;1550 &amp;amp;deg;C. The structural parameters of the obtained phases were refined by XRD using the Rietveld method. Factor group analysis revealed the number of active Raman modes for FeS I and &amp;amp;alpha;-NiS. Raman spectra of troilite, &amp;amp;alpha;-NiS, and Mss phases were obtained. It was shown that the Raman spectra of Mss phases and &amp;amp;alpha;-NiS have a similar topology. The Raman spectra of the experimental phases in the Fe-Ni-S system were analyzed with non-negative matrix factorization, which provided a meaningful concentration dependence of the spectral patterns. The spectral components were assigned to the FeS I and &amp;amp;alpha;-NiS structures. The structural and spectroscopic studies show linear dependencies of unit cell parameters and spectral components on composition and confirm the existence of a series of monosulfide solid solution FexNi1&amp;amp;minus;xS.</description> <pubDate>2024-11-08</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 967: High-Pressure Monosulfide Solid Solution FexNi1&amp;minus;xS Phases: X-Ray Diffraction Analysis and Raman Spectroscopy</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/967">doi: 10.3390/cryst14110967</a></p> <p>Authors: Anna V. Spivak Ninel Yu. Sharapova Tatiana V. Setkova Andrey V. Bobrov Vitaliy I. Korepanov Anastasia V. Iskrina Egor S. Zakharchenko Mikhail V. Voronin Natalia A. Drozhzhina </p> <p>High-pressure high-temperature (HPHT) crystalline monosulfide solid solution (Mss) phases (FexNi1&amp;amp;minus;xS, x = 0.90, 0.75, 0.50, 0.25), troilite (FeS I), and &amp;amp;alpha;-NiS of the Fe-Ni-S system were synthesized at 7 GPa and 900&amp;amp;ndash;1550 &amp;amp;deg;C. The structural parameters of the obtained phases were refined by XRD using the Rietveld method. Factor group analysis revealed the number of active Raman modes for FeS I and &amp;amp;alpha;-NiS. Raman spectra of troilite, &amp;amp;alpha;-NiS, and Mss phases were obtained. It was shown that the Raman spectra of Mss phases and &amp;amp;alpha;-NiS have a similar topology. The Raman spectra of the experimental phases in the Fe-Ni-S system were analyzed with non-negative matrix factorization, which provided a meaningful concentration dependence of the spectral patterns. The spectral components were assigned to the FeS I and &amp;amp;alpha;-NiS structures. The structural and spectroscopic studies show linear dependencies of unit cell parameters and spectral components on composition and confirm the existence of a series of monosulfide solid solution FexNi1&amp;amp;minus;xS.</p> ]]></content:encoded> <dc:title>High-Pressure Monosulfide Solid Solution FexNi1&amp;amp;minus;xS Phases: X-Ray Diffraction Analysis and Raman Spectroscopy</dc:title> <dc:creator>Anna V. Spivak</dc:creator> <dc:creator>Ninel Yu. Sharapova</dc:creator> <dc:creator>Tatiana V. Setkova</dc:creator> <dc:creator>Andrey V. Bobrov</dc:creator> <dc:creator>Vitaliy I. Korepanov</dc:creator> <dc:creator>Anastasia V. Iskrina</dc:creator> <dc:creator>Egor S. Zakharchenko</dc:creator> <dc:creator>Mikhail V. Voronin</dc:creator> <dc:creator>Natalia A. Drozhzhina</dc:creator> <dc:identifier>doi: 10.3390/cryst14110967</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-08</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-08</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>967</prism:startingPage> <prism:doi>10.3390/cryst14110967</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/967</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/966"> <title>Crystals, Vol. 14, Pages 966: The Structure and Optical Properties of Luminescent Terbium Terephthalate Metal&amp;ndash;Organic Frameworks Doped with Yttrium, Gadolinium, and Lanthanum Ions</title> <link>https://www.mdpi.com/2073-4352/14/11/966</link> <description>The structural features and luminescent properties of heterometallic Tb&amp;amp;ndash;Gd, Tb&amp;amp;ndash;La, and Tb&amp;amp;ndash;Y terephthalate metal&amp;amp;ndash;organic frameworks, namely (TbxM1&amp;amp;minus;x)2(1,4-bdc)3&amp;amp;#8729;4H2O (M = Gd, La, Y), were studied in detail in a wide concentration range (x = 0.001&amp;amp;ndash;1). The crystalline phase of synthesized compounds corresponds to Ln2(1,4-bdc)3&amp;amp;middot;4H2O. The lifetime of 5D4 decreased with increased Tb3+ concentration, but PLQY depends non-linearly on the Tb3+ concentration. The 50% substitution of Tb3+ for Y3+, Gd3+, or La3+ ions result in the significant enhancement of photoluminescence quantum yield, up to 1.6 times. The morphology, thermal stability, and vibrational structure of the selected homo- and bi-metallic materials is reported as well.</description> <pubDate>2024-11-08</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 966: The Structure and Optical Properties of Luminescent Terbium Terephthalate Metal&amp;ndash;Organic Frameworks Doped with Yttrium, Gadolinium, and Lanthanum Ions</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/966">doi: 10.3390/cryst14110966</a></p> <p>Authors: Anna S. Petrova Oleg S. Butorlin Yulia N. Toikka Ilya E. Kolesnikov Sergey N. Orlov Mikhail N. Ryazantsev Nikita A. Bogachev Mikhail Yu. Skripkin Andrey S. Mereshchenko </p> <p>The structural features and luminescent properties of heterometallic Tb&amp;amp;ndash;Gd, Tb&amp;amp;ndash;La, and Tb&amp;amp;ndash;Y terephthalate metal&amp;amp;ndash;organic frameworks, namely (TbxM1&amp;amp;minus;x)2(1,4-bdc)3&amp;amp;#8729;4H2O (M = Gd, La, Y), were studied in detail in a wide concentration range (x = 0.001&amp;amp;ndash;1). The crystalline phase of synthesized compounds corresponds to Ln2(1,4-bdc)3&amp;amp;middot;4H2O. The lifetime of 5D4 decreased with increased Tb3+ concentration, but PLQY depends non-linearly on the Tb3+ concentration. The 50% substitution of Tb3+ for Y3+, Gd3+, or La3+ ions result in the significant enhancement of photoluminescence quantum yield, up to 1.6 times. The morphology, thermal stability, and vibrational structure of the selected homo- and bi-metallic materials is reported as well.</p> ]]></content:encoded> <dc:title>The Structure and Optical Properties of Luminescent Terbium Terephthalate Metal&amp;amp;ndash;Organic Frameworks Doped with Yttrium, Gadolinium, and Lanthanum Ions</dc:title> <dc:creator>Anna S. Petrova</dc:creator> <dc:creator>Oleg S. Butorlin</dc:creator> <dc:creator>Yulia N. Toikka</dc:creator> <dc:creator>Ilya E. Kolesnikov</dc:creator> <dc:creator>Sergey N. Orlov</dc:creator> <dc:creator>Mikhail N. Ryazantsev</dc:creator> <dc:creator>Nikita A. Bogachev</dc:creator> <dc:creator>Mikhail Yu. Skripkin</dc:creator> <dc:creator>Andrey S. Mereshchenko</dc:creator> <dc:identifier>doi: 10.3390/cryst14110966</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-08</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-08</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>966</prism:startingPage> <prism:doi>10.3390/cryst14110966</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/966</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/965"> <title>Crystals, Vol. 14, Pages 965: Nanoporous Copper Films: How to Grow Porous Films by Magnetron Sputter Deposition</title> <link>https://www.mdpi.com/2073-4352/14/11/965</link> <description>Porous copper films used in current collectors have been shown to improve the stability of Li-ion batteries. They can be applied in Si-based photodiodes, sensors or as microradiators. Their fabrication, however, remains a challenge. In this work, we report on the direct deposition of porous copper films using magnetron sputtering in regular chamber geometry. We show how by using appropriate process gases and substrate temperatures, it is possible to control the morphology of the deposited films. In particular, the optimization of the argon to oxygen flow ratios and flow values leads to small porosification of the deposited copper films. Further, heating the substrate during deposition enables the growth of pore sizes into mesoporous and macroporous ranges. This approach is scalable, and since it does not require glancing angle deposition enables the easy coverage of large surfaces with uniformly porous films.</description> <pubDate>2024-11-07</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 965: Nanoporous Copper Films: How to Grow Porous Films by Magnetron Sputter Deposition</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/965">doi: 10.3390/cryst14110965</a></p> <p>Authors: Micha艂 A. Borysiewicz Patrycja Bara艅czyk Jakub Zawadzki Marek Wzorek Rafa艂 Zyba艂a Beata Synkiewicz-Musialska Pawe艂 Krzy艣ciak </p> <p>Porous copper films used in current collectors have been shown to improve the stability of Li-ion batteries. They can be applied in Si-based photodiodes, sensors or as microradiators. Their fabrication, however, remains a challenge. In this work, we report on the direct deposition of porous copper films using magnetron sputtering in regular chamber geometry. We show how by using appropriate process gases and substrate temperatures, it is possible to control the morphology of the deposited films. In particular, the optimization of the argon to oxygen flow ratios and flow values leads to small porosification of the deposited copper films. Further, heating the substrate during deposition enables the growth of pore sizes into mesoporous and macroporous ranges. This approach is scalable, and since it does not require glancing angle deposition enables the easy coverage of large surfaces with uniformly porous films.</p> ]]></content:encoded> <dc:title>Nanoporous Copper Films: How to Grow Porous Films by Magnetron Sputter Deposition</dc:title> <dc:creator>Micha艂 A. Borysiewicz</dc:creator> <dc:creator>Patrycja Bara艅czyk</dc:creator> <dc:creator>Jakub Zawadzki</dc:creator> <dc:creator>Marek Wzorek</dc:creator> <dc:creator>Rafa艂 Zyba艂a</dc:creator> <dc:creator>Beata Synkiewicz-Musialska</dc:creator> <dc:creator>Pawe艂 Krzy艣ciak</dc:creator> <dc:identifier>doi: 10.3390/cryst14110965</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-07</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-07</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>965</prism:startingPage> <prism:doi>10.3390/cryst14110965</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/965</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/964"> <title>Crystals, Vol. 14, Pages 964: Three-Dimensional Axisymmetric Analysis of Annular One-Dimensional Hexagonal Piezoelectric Quasicrystal Actuator/Sensor with Different Configurations</title> <link>https://www.mdpi.com/2073-4352/14/11/964</link> <description>The presented article is about the axisymmetric deformation of an annular one-dimensional hexagonal piezoelectric quasicrystal actuator/sensor with different configurations, analyzed by the three-dimensional theory of piezoelectricity coupled with phonon and phason fields. The state space method is utilized to recast the basic equations of one-dimensional hexagonal piezoelectric quasicrystals into the transfer matrix form, and the state space equations of a laminated annular piezoelectric quasicrystal actuator/sensor are obtained. By virtue of the finite Hankel transform, the ordinary differential equations with constant coefficients for an annular quasicrystal actuator/sensor with a generalized elastic simple support boundary condition are derived. Subsequently, the propagator matrix method and inverse Hankel transform are used together to achieve the exact axisymmetric solution for the annular one-dimensional hexagonal piezoelectric quasicrystal actuator/sensor. Numerical illustrations are presented to investigate the influences of the thickness-to-span ratio on a single-layer annular piezoelectric quasicrystal actuator/sensor subjected to different top surface loads, and the effect of material parameters is also presented. Afterward, the present model is applied to compare the performance of different piezoelectric quasicrystal actuator/sensor configurations: the quasicrystal multilayer, quasicrystal unimorph, and quasicrystal bimorph.</description> <pubDate>2024-11-06</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 964: Three-Dimensional Axisymmetric Analysis of Annular One-Dimensional Hexagonal Piezoelectric Quasicrystal Actuator/Sensor with Different Configurations</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/964">doi: 10.3390/cryst14110964</a></p> <p>Authors: Yang Li Yang Gao </p> <p>The presented article is about the axisymmetric deformation of an annular one-dimensional hexagonal piezoelectric quasicrystal actuator/sensor with different configurations, analyzed by the three-dimensional theory of piezoelectricity coupled with phonon and phason fields. The state space method is utilized to recast the basic equations of one-dimensional hexagonal piezoelectric quasicrystals into the transfer matrix form, and the state space equations of a laminated annular piezoelectric quasicrystal actuator/sensor are obtained. By virtue of the finite Hankel transform, the ordinary differential equations with constant coefficients for an annular quasicrystal actuator/sensor with a generalized elastic simple support boundary condition are derived. Subsequently, the propagator matrix method and inverse Hankel transform are used together to achieve the exact axisymmetric solution for the annular one-dimensional hexagonal piezoelectric quasicrystal actuator/sensor. Numerical illustrations are presented to investigate the influences of the thickness-to-span ratio on a single-layer annular piezoelectric quasicrystal actuator/sensor subjected to different top surface loads, and the effect of material parameters is also presented. Afterward, the present model is applied to compare the performance of different piezoelectric quasicrystal actuator/sensor configurations: the quasicrystal multilayer, quasicrystal unimorph, and quasicrystal bimorph.</p> ]]></content:encoded> <dc:title>Three-Dimensional Axisymmetric Analysis of Annular One-Dimensional Hexagonal Piezoelectric Quasicrystal Actuator/Sensor with Different Configurations</dc:title> <dc:creator>Yang Li</dc:creator> <dc:creator>Yang Gao</dc:creator> <dc:identifier>doi: 10.3390/cryst14110964</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-06</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-06</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>964</prism:startingPage> <prism:doi>10.3390/cryst14110964</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/964</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/963"> <title>Crystals, Vol. 14, Pages 963: Liquid Crystal Ordering in Densely Packed Colloidal Suspensions of Highly Anisotropic Monolayer Nanosheets</title> <link>https://www.mdpi.com/2073-4352/14/11/963</link> <description>Monolayer nanosheets of zirconium phosphate in aqueous suspension exhibit short-range repulsion and long-range attraction, producing, at overall volume fractions larger than about half a percent, phase separation into higher-concentration liquid crystal and lower-concentration isotropic regions. At high concentrations, this phase separation takes the form of an emulsion of condensed, liquid-crystalline droplets, which anneal to form lens-shaped tactoids. These tactoids provide an opportunity to study the liquid crystal ordering of inorganic nanosheets in the limit of large shape anisotropy (diameter/thickness~400) and high packing fraction (volume fraction &amp;amp;#8819; 70%). The internal liquid crystal structure of the tactoids remains nematic even under conditions that would usually favor ordering into lamellar smectics. Local lamellar ordering is suggested by short-range, smectic-like layer correlations, but a full transition into a smectic phase appears to be inhibited by the nanosheet edges, which act as a perturbative population of dislocation loops in the system of layers. Under conditions of thermal equilibrium, the nanoplates organize positionally to enable bend deformation of the director, a hallmark of the nematic phase and its principal distinction from the smectic, where bend must be expelled.</description> <pubDate>2024-11-06</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 963: Liquid Crystal Ordering in Densely Packed Colloidal Suspensions of Highly Anisotropic Monolayer Nanosheets</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/963">doi: 10.3390/cryst14110963</a></p> <p>Authors: Yue Shi Min Shuai Yongqiang Shen Dong Chen Joseph E. Maclennan Zhengdong Cheng Noel A. Clark </p> <p>Monolayer nanosheets of zirconium phosphate in aqueous suspension exhibit short-range repulsion and long-range attraction, producing, at overall volume fractions larger than about half a percent, phase separation into higher-concentration liquid crystal and lower-concentration isotropic regions. At high concentrations, this phase separation takes the form of an emulsion of condensed, liquid-crystalline droplets, which anneal to form lens-shaped tactoids. These tactoids provide an opportunity to study the liquid crystal ordering of inorganic nanosheets in the limit of large shape anisotropy (diameter/thickness~400) and high packing fraction (volume fraction &amp;amp;#8819; 70%). The internal liquid crystal structure of the tactoids remains nematic even under conditions that would usually favor ordering into lamellar smectics. Local lamellar ordering is suggested by short-range, smectic-like layer correlations, but a full transition into a smectic phase appears to be inhibited by the nanosheet edges, which act as a perturbative population of dislocation loops in the system of layers. Under conditions of thermal equilibrium, the nanoplates organize positionally to enable bend deformation of the director, a hallmark of the nematic phase and its principal distinction from the smectic, where bend must be expelled.</p> ]]></content:encoded> <dc:title>Liquid Crystal Ordering in Densely Packed Colloidal Suspensions of Highly Anisotropic Monolayer Nanosheets</dc:title> <dc:creator>Yue Shi</dc:creator> <dc:creator>Min Shuai</dc:creator> <dc:creator>Yongqiang Shen</dc:creator> <dc:creator>Dong Chen</dc:creator> <dc:creator>Joseph E. Maclennan</dc:creator> <dc:creator>Zhengdong Cheng</dc:creator> <dc:creator>Noel A. Clark</dc:creator> <dc:identifier>doi: 10.3390/cryst14110963</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-06</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-06</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>963</prism:startingPage> <prism:doi>10.3390/cryst14110963</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/963</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/962"> <title>Crystals, Vol. 14, Pages 962: Effect of Molybdenum Concentration and Deposition Temperature on the Structure and Tribological Properties of the Diamond-like Carbon Films</title> <link>https://www.mdpi.com/2073-4352/14/11/962</link> <description>Two series of non-hydrogenated diamond-like carbon (DLC) films and molybdenum doped diamond-like carbon (Mo-DLC) films were grown on the silicon substrate using direct current magnetron sputtering. The influence of molybdenum doping (between 6.3 and 11.9 at.% of Mo), as well as the deposited temperature (between 185 and 235 &amp;amp;deg;C) on the surface morphology, elemental composition, bonding microstructure, friction force, and nanohardness of the films, were characterized by atomic force microscopy (AFM), energy dispersive X-ray spectroscopy (EDX), Raman spectroscopy, and a nanoindenter. It was found that the increase in the metal dopant concentration led to a higher metallicity and graphitization of the DLC films. The surface roughness and sp3/sp2 ratio were obtained as a function of the Mo concentration and formation temperature. The nanohardness of DLC films was improved by up to 75% with the addition of Mo. Meanwhile, the reduction in the deposition temperature decreased the nanohardness of the DLC films. The friction coefficient of the DLC films was slightly reduced with addition of the molybdenum.</description> <pubDate>2024-11-05</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 962: Effect of Molybdenum Concentration and Deposition Temperature on the Structure and Tribological Properties of the Diamond-like Carbon Films</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/962">doi: 10.3390/cryst14110962</a></p> <p>Authors: Hassan Zhairabany Hesam Khaksar Edgars Vanags Liutauras Marcinauskas </p> <p>Two series of non-hydrogenated diamond-like carbon (DLC) films and molybdenum doped diamond-like carbon (Mo-DLC) films were grown on the silicon substrate using direct current magnetron sputtering. The influence of molybdenum doping (between 6.3 and 11.9 at.% of Mo), as well as the deposited temperature (between 185 and 235 &amp;amp;deg;C) on the surface morphology, elemental composition, bonding microstructure, friction force, and nanohardness of the films, were characterized by atomic force microscopy (AFM), energy dispersive X-ray spectroscopy (EDX), Raman spectroscopy, and a nanoindenter. It was found that the increase in the metal dopant concentration led to a higher metallicity and graphitization of the DLC films. The surface roughness and sp3/sp2 ratio were obtained as a function of the Mo concentration and formation temperature. The nanohardness of DLC films was improved by up to 75% with the addition of Mo. Meanwhile, the reduction in the deposition temperature decreased the nanohardness of the DLC films. The friction coefficient of the DLC films was slightly reduced with addition of the molybdenum.</p> ]]></content:encoded> <dc:title>Effect of Molybdenum Concentration and Deposition Temperature on the Structure and Tribological Properties of the Diamond-like Carbon Films</dc:title> <dc:creator>Hassan Zhairabany</dc:creator> <dc:creator>Hesam Khaksar</dc:creator> <dc:creator>Edgars Vanags</dc:creator> <dc:creator>Liutauras Marcinauskas</dc:creator> <dc:identifier>doi: 10.3390/cryst14110962</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-05</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-05</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>962</prism:startingPage> <prism:doi>10.3390/cryst14110962</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/962</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/961"> <title>Crystals, Vol. 14, Pages 961: Exploring Multi-Parameter Effects on Iron Oxide Nanoparticle Synthesis by SAXS Analysis</title> <link>https://www.mdpi.com/2073-4352/14/11/961</link> <description>Iron oxide nanoparticles (IONs) are extensively used in biomedical applications due to their unique magnetic properties. This study optimized ION synthesis via the co-precipitation method, exploring the impact of the reactant concentrations (Fe(II) and Fe(III)), NaOH concentration, temperature (30 &amp;amp;deg;C&amp;amp;ndash;80 &amp;amp;deg;C), stirring speed (0&amp;amp;ndash;1000 rpm), and dosing rate (10&amp;amp;ndash;600 s) on particle size and growth. Using small-angle X-ray scattering (SAXS), we observed, for example, that higher temperatures (e.g., 67 &amp;amp;deg;C compared with 53 &amp;amp;deg;C) led to a 50% increase in particle size, while the stirring speed and NaOH concentration also influenced nucleation and aggregation. These results provide comprehensive insights into optimizing synthetic conditions for targeted applications in biomedical fields, such as drug delivery and magnetic resonance imaging (MRI), where precise control over nanoparticle size and properties is crucial.</description> <pubDate>2024-11-04</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 961: Exploring Multi-Parameter Effects on Iron Oxide Nanoparticle Synthesis by SAXS Analysis</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/961">doi: 10.3390/cryst14110961</a></p> <p>Authors: Marco Eigenfeld Marco Reindl Xiao Sun Sebastian P. Schwaminger </p> <p>Iron oxide nanoparticles (IONs) are extensively used in biomedical applications due to their unique magnetic properties. This study optimized ION synthesis via the co-precipitation method, exploring the impact of the reactant concentrations (Fe(II) and Fe(III)), NaOH concentration, temperature (30 &amp;amp;deg;C&amp;amp;ndash;80 &amp;amp;deg;C), stirring speed (0&amp;amp;ndash;1000 rpm), and dosing rate (10&amp;amp;ndash;600 s) on particle size and growth. Using small-angle X-ray scattering (SAXS), we observed, for example, that higher temperatures (e.g., 67 &amp;amp;deg;C compared with 53 &amp;amp;deg;C) led to a 50% increase in particle size, while the stirring speed and NaOH concentration also influenced nucleation and aggregation. These results provide comprehensive insights into optimizing synthetic conditions for targeted applications in biomedical fields, such as drug delivery and magnetic resonance imaging (MRI), where precise control over nanoparticle size and properties is crucial.</p> ]]></content:encoded> <dc:title>Exploring Multi-Parameter Effects on Iron Oxide Nanoparticle Synthesis by SAXS Analysis</dc:title> <dc:creator>Marco Eigenfeld</dc:creator> <dc:creator>Marco Reindl</dc:creator> <dc:creator>Xiao Sun</dc:creator> <dc:creator>Sebastian P. Schwaminger</dc:creator> <dc:identifier>doi: 10.3390/cryst14110961</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-04</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-04</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>961</prism:startingPage> <prism:doi>10.3390/cryst14110961</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/961</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/960"> <title>Crystals, Vol. 14, Pages 960: Assessment of Classical Force-Fields for Graphene Mechanics</title> <link>https://www.mdpi.com/2073-4352/14/11/960</link> <description>The unique properties of graphene have attracted the interest of researchers from various fields, and the discovery of graphene has sparked a revolution in materials science, specifically in the field of two-dimensional materials. However, graphene synthesis&amp;amp;rsquo;s costly and complex process significantly impairs researchers&amp;amp;rsquo; endeavors to explore its properties and structure experimentally. Molecular dynamics simulation is a well-established and useful tool for investigating graphene&amp;amp;rsquo;s atomic structure and dynamic behavior at the nanoscale without requiring expensive and complex experiments. The accuracy of the molecular dynamics simulation depends on the potential functions. This work assesses the performance of various potential functions available for graphene in mechanical properties prediction. The following two cases are considered: pristine graphene and pre-cracked graphene. The most popular fifteen potentials have been assessed. Our results suggest that diverse potentials are suitable for various applications. REBO and Tersoff potentials are the best for simulating monolayer pristine graphene, and the MEAM and the AIREBO-m potentials are recommended for those with crack defects because of their respective utilization of the electron density and inclusion of the long-range interaction. We recommend the AIREBO-m potential for a general case of classical molecular dynamics study. This work might help to guide the selection of potentials for graphene simulations and the development of further advanced interatomic potentials.</description> <pubDate>2024-11-02</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 960: Assessment of Classical Force-Fields for Graphene Mechanics</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/960">doi: 10.3390/cryst14110960</a></p> <p>Authors: Zhiwei Ma Yongkang Tan Xintian Cai Xue Chen Tan Shi Jianfeng Jin Yifang Ouyang Qing Peng </p> <p>The unique properties of graphene have attracted the interest of researchers from various fields, and the discovery of graphene has sparked a revolution in materials science, specifically in the field of two-dimensional materials. However, graphene synthesis&amp;amp;rsquo;s costly and complex process significantly impairs researchers&amp;amp;rsquo; endeavors to explore its properties and structure experimentally. Molecular dynamics simulation is a well-established and useful tool for investigating graphene&amp;amp;rsquo;s atomic structure and dynamic behavior at the nanoscale without requiring expensive and complex experiments. The accuracy of the molecular dynamics simulation depends on the potential functions. This work assesses the performance of various potential functions available for graphene in mechanical properties prediction. The following two cases are considered: pristine graphene and pre-cracked graphene. The most popular fifteen potentials have been assessed. Our results suggest that diverse potentials are suitable for various applications. REBO and Tersoff potentials are the best for simulating monolayer pristine graphene, and the MEAM and the AIREBO-m potentials are recommended for those with crack defects because of their respective utilization of the electron density and inclusion of the long-range interaction. We recommend the AIREBO-m potential for a general case of classical molecular dynamics study. This work might help to guide the selection of potentials for graphene simulations and the development of further advanced interatomic potentials.</p> ]]></content:encoded> <dc:title>Assessment of Classical Force-Fields for Graphene Mechanics</dc:title> <dc:creator>Zhiwei Ma</dc:creator> <dc:creator>Yongkang Tan</dc:creator> <dc:creator>Xintian Cai</dc:creator> <dc:creator>Xue Chen</dc:creator> <dc:creator>Tan Shi</dc:creator> <dc:creator>Jianfeng Jin</dc:creator> <dc:creator>Yifang Ouyang</dc:creator> <dc:creator>Qing Peng</dc:creator> <dc:identifier>doi: 10.3390/cryst14110960</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-02</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-02</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>960</prism:startingPage> <prism:doi>10.3390/cryst14110960</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/960</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/959"> <title>Crystals, Vol. 14, Pages 959: Complex Coacervates: From Polyelectrolyte Solutions to Multifunctional Hydrogels for Bioinspired Crystallization</title> <link>https://www.mdpi.com/2073-4352/14/11/959</link> <description>Hydrogels represent multifarious functional materials due to their diverse ranges of applicability and physicochemical properties. The complex coacervation of polyacrylate and calcium ions or polyamines with phosphates has been uncovered to be a fascinating approach to synthesizing of multifunctional physically crosslinked hydrogels. To obtain this wide range of properties, the synthesis pathway is of great importance. For this purpose, we investigated the entire mechanism of calcium/polyacrylate, as well as phosphate/polyamine coacervation, starting from early dynamic ion complexation by the polymers, through the determination of the phase boundary and droplet formation, up to the growth and formation of thermodynamically stable macroscopic coacervate hydrogels. By varying the synthesis procedure, injectable hydrogels, as well as plastic coacervates, are presented, which cover a viscosity range of three orders of magnitude. Furthermore, the high calcium content of the calcium/polyacrylate coacervate (~19 wt.%) enables the usage of those coacervates as an ions reservoir for the formation of amorphous and crystalline calcium-containing salts like calcium carbonates and calcium phosphates. The exceptional properties of the coacervates obtained here, such as thermodynamic stability, viscosity/plasticity, resistance to acids, and adhesive strength, combined with the straightforward synthesis and the character of an ions reservoir, open a promising field of bioinspired composite materials for osteology and dentistry.</description> <pubDate>2024-11-02</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 959: Complex Coacervates: From Polyelectrolyte Solutions to Multifunctional Hydrogels for Bioinspired Crystallization</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/959">doi: 10.3390/cryst14110959</a></p> <p>Authors: Dominik Gruber Cristina Ruiz-Agudo Ashit Rao Simon Pasler Helmut C枚lfen Elena V. Sturm </p> <p>Hydrogels represent multifarious functional materials due to their diverse ranges of applicability and physicochemical properties. The complex coacervation of polyacrylate and calcium ions or polyamines with phosphates has been uncovered to be a fascinating approach to synthesizing of multifunctional physically crosslinked hydrogels. To obtain this wide range of properties, the synthesis pathway is of great importance. For this purpose, we investigated the entire mechanism of calcium/polyacrylate, as well as phosphate/polyamine coacervation, starting from early dynamic ion complexation by the polymers, through the determination of the phase boundary and droplet formation, up to the growth and formation of thermodynamically stable macroscopic coacervate hydrogels. By varying the synthesis procedure, injectable hydrogels, as well as plastic coacervates, are presented, which cover a viscosity range of three orders of magnitude. Furthermore, the high calcium content of the calcium/polyacrylate coacervate (~19 wt.%) enables the usage of those coacervates as an ions reservoir for the formation of amorphous and crystalline calcium-containing salts like calcium carbonates and calcium phosphates. The exceptional properties of the coacervates obtained here, such as thermodynamic stability, viscosity/plasticity, resistance to acids, and adhesive strength, combined with the straightforward synthesis and the character of an ions reservoir, open a promising field of bioinspired composite materials for osteology and dentistry.</p> ]]></content:encoded> <dc:title>Complex Coacervates: From Polyelectrolyte Solutions to Multifunctional Hydrogels for Bioinspired Crystallization</dc:title> <dc:creator>Dominik Gruber</dc:creator> <dc:creator>Cristina Ruiz-Agudo</dc:creator> <dc:creator>Ashit Rao</dc:creator> <dc:creator>Simon Pasler</dc:creator> <dc:creator>Helmut C枚lfen</dc:creator> <dc:creator>Elena V. Sturm</dc:creator> <dc:identifier>doi: 10.3390/cryst14110959</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-02</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-02</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>959</prism:startingPage> <prism:doi>10.3390/cryst14110959</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/959</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/958"> <title>Crystals, Vol. 14, Pages 958: Progress in the Applications of Photovoltaic Functional Crystals and Ceramics</title> <link>https://www.mdpi.com/2073-4352/14/11/958</link> <description>With the progression of mankind and the development of technology, great strides have been made regarding the application of inorganic crystalline materials in a number of fields such as high-energy and nuclear physics, environmental and safety inspection, the optoelectronics and communication fields, energy, and aerospace engineering, particularly the industrialization of photovoltaic and detector materials, which has brought mankind&amp;amp;rsquo;s knowledge of natural disciplines to an all-time high [...]</description> <pubDate>2024-11-01</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 958: Progress in the Applications of Photovoltaic Functional Crystals and Ceramics</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/958">doi: 10.3390/cryst14110958</a></p> <p>Authors: Linghang Wang Gang Xu </p> <p>With the progression of mankind and the development of technology, great strides have been made regarding the application of inorganic crystalline materials in a number of fields such as high-energy and nuclear physics, environmental and safety inspection, the optoelectronics and communication fields, energy, and aerospace engineering, particularly the industrialization of photovoltaic and detector materials, which has brought mankind&amp;amp;rsquo;s knowledge of natural disciplines to an all-time high [...]</p> ]]></content:encoded> <dc:title>Progress in the Applications of Photovoltaic Functional Crystals and Ceramics</dc:title> <dc:creator>Linghang Wang</dc:creator> <dc:creator>Gang Xu</dc:creator> <dc:identifier>doi: 10.3390/cryst14110958</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-11-01</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-11-01</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Editorial</prism:section> <prism:startingPage>958</prism:startingPage> <prism:doi>10.3390/cryst14110958</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/958</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/957"> <title>Crystals, Vol. 14, Pages 957: Design and Application of a Lightweight Plate-Type Acoustic Metamaterial for Vehicle Interior Low-Frequency Noise Reduction</title> <link>https://www.mdpi.com/2073-4352/14/11/957</link> <description>To reduce the low-frequency noise inside automobiles, a lightweight plate-type locally resonant acoustic metamaterial (LRAM) is proposed. The design method for the low-frequency bending wave bandgap of the LRAM panel was derived. Prototype LRAM panels were fabricated and tested, and the effectiveness of the bandgap design was verified by measuring the vibration transmission characteristics of the steel panels with the installed LRAM. Based on the bandgap design method, the influence of geometric and material parameters on the bandgap of the LRAM panel was investigated. The LRAM panel was installed on the inner side of the tailgate of a traditional SUV, which effectively reduced the low-frequency noise (around 34 Hz) during acceleration and constant-speed driving, improving the subjective perception of the low-frequency noise from &amp;amp;ldquo;very unsatisfactory&amp;amp;rdquo; to &amp;amp;ldquo;basically satisfactory&amp;amp;rdquo;. Furthermore, the noise reduction performance of the LRAM panel was compared with that of traditional damping panels. It was found that, with a similar installation area and lighter weight than the traditional damping panels, the LRAM panel still achieved significantly better low-frequency noise reduction, exhibiting the advantages of lightweight, superior low-frequency performance, designable bandgap and shape, and high environmental reliability, which suggests its great potential for low-frequency noise reduction in vehicles.</description> <pubDate>2024-10-31</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 957: Design and Application of a Lightweight Plate-Type Acoustic Metamaterial for Vehicle Interior Low-Frequency Noise Reduction</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/957">doi: 10.3390/cryst14110957</a></p> <p>Authors: Yudong Wu Wang Yan Guang Wen Yanyong He Shiqi Deng Weiping Ding </p> <p>To reduce the low-frequency noise inside automobiles, a lightweight plate-type locally resonant acoustic metamaterial (LRAM) is proposed. The design method for the low-frequency bending wave bandgap of the LRAM panel was derived. Prototype LRAM panels were fabricated and tested, and the effectiveness of the bandgap design was verified by measuring the vibration transmission characteristics of the steel panels with the installed LRAM. Based on the bandgap design method, the influence of geometric and material parameters on the bandgap of the LRAM panel was investigated. The LRAM panel was installed on the inner side of the tailgate of a traditional SUV, which effectively reduced the low-frequency noise (around 34 Hz) during acceleration and constant-speed driving, improving the subjective perception of the low-frequency noise from &amp;amp;ldquo;very unsatisfactory&amp;amp;rdquo; to &amp;amp;ldquo;basically satisfactory&amp;amp;rdquo;. Furthermore, the noise reduction performance of the LRAM panel was compared with that of traditional damping panels. It was found that, with a similar installation area and lighter weight than the traditional damping panels, the LRAM panel still achieved significantly better low-frequency noise reduction, exhibiting the advantages of lightweight, superior low-frequency performance, designable bandgap and shape, and high environmental reliability, which suggests its great potential for low-frequency noise reduction in vehicles.</p> ]]></content:encoded> <dc:title>Design and Application of a Lightweight Plate-Type Acoustic Metamaterial for Vehicle Interior Low-Frequency Noise Reduction</dc:title> <dc:creator>Yudong Wu</dc:creator> <dc:creator>Wang Yan</dc:creator> <dc:creator>Guang Wen</dc:creator> <dc:creator>Yanyong He</dc:creator> <dc:creator>Shiqi Deng</dc:creator> <dc:creator>Weiping Ding</dc:creator> <dc:identifier>doi: 10.3390/cryst14110957</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-31</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-31</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>957</prism:startingPage> <prism:doi>10.3390/cryst14110957</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/957</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/955"> <title>Crystals, Vol. 14, Pages 955: Crystallographic Orientation of Grains Formed in the Laser Melt-Pool of (CoCuFeZr)17Sm2 Anisotropic Permanent Magnets</title> <link>https://www.mdpi.com/2073-4352/14/11/955</link> <description>Textured microstructures and anisotropic properties are key factors for the optimization of magnetic materials. Only for high texture grades can the remanence Jr and the maximum energy product (BH)max be maximized. In additive manufacturing such as laser powder bed fusion (PBF-LB), methods to achieve texture have to be developed. In this work, anisotropic (CoCuFeZr)17Sm2 sintered magnets have been used as a substrate in experiments featuring single laser tracks to study the relationships between crystallographic orientation of the substrate grains and crystallographic orientation of grain growth in the melt-pool. The &amp;amp;lt;0001&amp;amp;gt; crystal direction (c-axis) of the substrate has been systematically varied with respect to the orientation of the laser scan track on the specimen surface. Crystallographic orientations of the melt-pool and the substrate have been analyzed using electron backscatter diffraction (EBSD). It is found that if the c-axis is oriented perpendicular to the temperature gradient in the melt-pool, grains grow with orientation similar to that of the substrate grain. If the c-axis and the temperature gradient are oriented in the same direction, the grains grow with high misorientation to the substrate. The highest anisotropy in the melt-pool is achieved when the substrate&amp;amp;rsquo;s c-axis is oriented along the laser scan track. Under these conditions, 98.7% of the melt-pool area shows a misorientation &amp;amp;lt;45&amp;amp;deg; compared to the substrate orientation. The texture grade of the melt-pool area is comparable to that of the substrate magnet, at 91.8% and 92.2%, respectively.</description> <pubDate>2024-10-31</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 955: Crystallographic Orientation of Grains Formed in the Laser Melt-Pool of (CoCuFeZr)17Sm2 Anisotropic Permanent Magnets</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/955">doi: 10.3390/cryst14110955</a></p> <p>Authors: Felix Trauter Ralf Loeffler Gerhard Schneider Dagmar Goll </p> <p>Textured microstructures and anisotropic properties are key factors for the optimization of magnetic materials. Only for high texture grades can the remanence Jr and the maximum energy product (BH)max be maximized. In additive manufacturing such as laser powder bed fusion (PBF-LB), methods to achieve texture have to be developed. In this work, anisotropic (CoCuFeZr)17Sm2 sintered magnets have been used as a substrate in experiments featuring single laser tracks to study the relationships between crystallographic orientation of the substrate grains and crystallographic orientation of grain growth in the melt-pool. The &amp;amp;lt;0001&amp;amp;gt; crystal direction (c-axis) of the substrate has been systematically varied with respect to the orientation of the laser scan track on the specimen surface. Crystallographic orientations of the melt-pool and the substrate have been analyzed using electron backscatter diffraction (EBSD). It is found that if the c-axis is oriented perpendicular to the temperature gradient in the melt-pool, grains grow with orientation similar to that of the substrate grain. If the c-axis and the temperature gradient are oriented in the same direction, the grains grow with high misorientation to the substrate. The highest anisotropy in the melt-pool is achieved when the substrate&amp;amp;rsquo;s c-axis is oriented along the laser scan track. Under these conditions, 98.7% of the melt-pool area shows a misorientation &amp;amp;lt;45&amp;amp;deg; compared to the substrate orientation. The texture grade of the melt-pool area is comparable to that of the substrate magnet, at 91.8% and 92.2%, respectively.</p> ]]></content:encoded> <dc:title>Crystallographic Orientation of Grains Formed in the Laser Melt-Pool of (CoCuFeZr)17Sm2 Anisotropic Permanent Magnets</dc:title> <dc:creator>Felix Trauter</dc:creator> <dc:creator>Ralf Loeffler</dc:creator> <dc:creator>Gerhard Schneider</dc:creator> <dc:creator>Dagmar Goll</dc:creator> <dc:identifier>doi: 10.3390/cryst14110955</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-31</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-31</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>955</prism:startingPage> <prism:doi>10.3390/cryst14110955</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/955</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/956"> <title>Crystals, Vol. 14, Pages 956: Influence of Ionic Liquids on the Functionality of Optoelectronic Devices Employing CsPbBr3 Single Crystals</title> <link>https://www.mdpi.com/2073-4352/14/11/956</link> <description>Regulating the nucleation temperature and growth rates during inverse temperature crystallization (ITC) is vital for obtaining high-quality perovskite single crystals via this technique. Precise control over these parameters enables growing crystals optimized for various optoelectronic devices. In this study, it is demonstrated that incorporating a 1-butyl-3-methylimidazolium bromide (BMIB) ionic liquid into the precursor solution of cesium lead bromide (CsPbBr3) brings about a dual enhancement effect. This includes a reduction in nucleation temperature from 85 &amp;amp;deg;C to 65 &amp;amp;deg;C and a significant improvement in both optoelectronic characteristics and crystal properties. The CsPbBr3 single crystals grown using ITC with BMIB added (method (2)) demonstrate improved chemical and physical properties (crystallinity, lattice strain, nonradioactive recombination, and trap density) compared to CsPbBr3 single crystals produced through conventional 85 &amp;amp;deg;C ITC alone (method (1)). The exceptional quality of CsPbBr3 single crystals produced with the inclusion of BMIB allowed for the development of a highly responsive optoelectronic device, demonstrating heightened sensitivity to green light. The findings of this investigation reveal that the growth of perovskite single crystals assisted by ionic liquid exerts a substantial impact on the characteristics of the crystals. This influence proves advantageous for the development of optoelectronic devices based on single crystals.</description> <pubDate>2024-10-31</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 956: Influence of Ionic Liquids on the Functionality of Optoelectronic Devices Employing CsPbBr3 Single Crystals</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/956">doi: 10.3390/cryst14110956</a></p> <p>Authors: Faisal Alresheedi </p> <p>Regulating the nucleation temperature and growth rates during inverse temperature crystallization (ITC) is vital for obtaining high-quality perovskite single crystals via this technique. Precise control over these parameters enables growing crystals optimized for various optoelectronic devices. In this study, it is demonstrated that incorporating a 1-butyl-3-methylimidazolium bromide (BMIB) ionic liquid into the precursor solution of cesium lead bromide (CsPbBr3) brings about a dual enhancement effect. This includes a reduction in nucleation temperature from 85 &amp;amp;deg;C to 65 &amp;amp;deg;C and a significant improvement in both optoelectronic characteristics and crystal properties. The CsPbBr3 single crystals grown using ITC with BMIB added (method (2)) demonstrate improved chemical and physical properties (crystallinity, lattice strain, nonradioactive recombination, and trap density) compared to CsPbBr3 single crystals produced through conventional 85 &amp;amp;deg;C ITC alone (method (1)). The exceptional quality of CsPbBr3 single crystals produced with the inclusion of BMIB allowed for the development of a highly responsive optoelectronic device, demonstrating heightened sensitivity to green light. The findings of this investigation reveal that the growth of perovskite single crystals assisted by ionic liquid exerts a substantial impact on the characteristics of the crystals. This influence proves advantageous for the development of optoelectronic devices based on single crystals.</p> ]]></content:encoded> <dc:title>Influence of Ionic Liquids on the Functionality of Optoelectronic Devices Employing CsPbBr3 Single Crystals</dc:title> <dc:creator>Faisal Alresheedi</dc:creator> <dc:identifier>doi: 10.3390/cryst14110956</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-31</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-31</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>956</prism:startingPage> <prism:doi>10.3390/cryst14110956</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/956</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/954"> <title>Crystals, Vol. 14, Pages 954: Empirical Analysis of Stability of An+1BnO3n+1 Ruddlesden&amp;ndash;Popper Phases Using Reciprocal n-Values</title> <link>https://www.mdpi.com/2073-4352/14/11/954</link> <description>Layered An+1BnO3n+1 (n = 1&amp;amp;hellip;&amp;amp;infin;) Ruddlesden&amp;amp;ndash;Popper (RP) phases are a promising system for a variety of applications. Within the RP family, the thermodynamic properties of the phases are essentially additive with variation in the n value, but at present, there are no general approaches that would allow one to evaluate the individual stability of the RP phases and the possibility of their interconversion. The aim of this paper is to present a novel concept for performing a thermodynamic analysis of RP phases using the reciprocal values of the index n. We present an empirical equation &amp;amp;Delta;G1/n = &amp;amp;Delta;GP + B1/n + B2/n2, where &amp;amp;Delta;G1/n and &amp;amp;Delta;GP are the molar Gibbs energies of formation of the Ruddlesden&amp;amp;ndash;Popper (RP) phase (AO)1/nABO3 and the parent ABO3 perovskite, respectively, and n is a stoichiometry index of An+1BnO3n+1 RP phase. The correlation was validated using available thermodynamic data for the systems Sr-Ti-O, Ca-Ti-O, Sr-Zr-O, La-Ni-O, and La-Co-O. For all A-B combinations, the equation quantitatively describes the Gibbs energy of RP phase formation. Predicted values for the non-linear approximation lie within the experimental uncertainty in determining &amp;amp;Delta;G1/n. The proposed correlation was used to analyze the relative stability of the RP phases and to determine the feasibility of synthesizing new compounds.</description> <pubDate>2024-10-31</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 954: Empirical Analysis of Stability of An+1BnO3n+1 Ruddlesden&amp;ndash;Popper Phases Using Reciprocal n-Values</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/954">doi: 10.3390/cryst14110954</a></p> <p>Authors: Sergei Vereshchagin Vyacheslav Dudnikov </p> <p>Layered An+1BnO3n+1 (n = 1&amp;amp;hellip;&amp;amp;infin;) Ruddlesden&amp;amp;ndash;Popper (RP) phases are a promising system for a variety of applications. Within the RP family, the thermodynamic properties of the phases are essentially additive with variation in the n value, but at present, there are no general approaches that would allow one to evaluate the individual stability of the RP phases and the possibility of their interconversion. The aim of this paper is to present a novel concept for performing a thermodynamic analysis of RP phases using the reciprocal values of the index n. We present an empirical equation &amp;amp;Delta;G1/n = &amp;amp;Delta;GP + B1/n + B2/n2, where &amp;amp;Delta;G1/n and &amp;amp;Delta;GP are the molar Gibbs energies of formation of the Ruddlesden&amp;amp;ndash;Popper (RP) phase (AO)1/nABO3 and the parent ABO3 perovskite, respectively, and n is a stoichiometry index of An+1BnO3n+1 RP phase. The correlation was validated using available thermodynamic data for the systems Sr-Ti-O, Ca-Ti-O, Sr-Zr-O, La-Ni-O, and La-Co-O. For all A-B combinations, the equation quantitatively describes the Gibbs energy of RP phase formation. Predicted values for the non-linear approximation lie within the experimental uncertainty in determining &amp;amp;Delta;G1/n. The proposed correlation was used to analyze the relative stability of the RP phases and to determine the feasibility of synthesizing new compounds.</p> ]]></content:encoded> <dc:title>Empirical Analysis of Stability of An+1BnO3n+1 Ruddlesden&amp;amp;ndash;Popper Phases Using Reciprocal n-Values</dc:title> <dc:creator>Sergei Vereshchagin</dc:creator> <dc:creator>Vyacheslav Dudnikov</dc:creator> <dc:identifier>doi: 10.3390/cryst14110954</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-31</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-31</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Communication</prism:section> <prism:startingPage>954</prism:startingPage> <prism:doi>10.3390/cryst14110954</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/954</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/951"> <title>Crystals, Vol. 14, Pages 951: Amorphous-like TiN Films as Barrier Layers for Copper</title> <link>https://www.mdpi.com/2073-4352/14/11/951</link> <description>The titanium nitride (TiN) columnar structure results in a rapid diffusion of copper atoms into the substrate along a vertical path. In this paper, the TiN columnar growth process was modified, which resulted in the deposition of amorphous-like films. The amorphous-like TiN layer demonstrated a low resistivity of 75.3 &amp;amp;mu;&amp;amp;Omega;&amp;amp;middot;cm. For the test structure of Cu/TiN/SiO2, the Cu diffusion depth in the 3 nm TiN middle layer was only approximately 1 nm after annealing at 750 &amp;amp;deg;C for 30 min. Excellent copper diffusion barrier due to high density and complex diffusion pathways. The results of this study suggest that conventional barrier materials can still be used in ultra-narrow copper interconnects.</description> <pubDate>2024-10-31</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 951: Amorphous-like TiN Films as Barrier Layers for Copper</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/951">doi: 10.3390/cryst14110951</a></p> <p>Authors: Shicheng Han Shicheng Yang Xiaohong Zeng Ying Wu Tong Liu Hu Wang Sunan Ding </p> <p>The titanium nitride (TiN) columnar structure results in a rapid diffusion of copper atoms into the substrate along a vertical path. In this paper, the TiN columnar growth process was modified, which resulted in the deposition of amorphous-like films. The amorphous-like TiN layer demonstrated a low resistivity of 75.3 &amp;amp;mu;&amp;amp;Omega;&amp;amp;middot;cm. For the test structure of Cu/TiN/SiO2, the Cu diffusion depth in the 3 nm TiN middle layer was only approximately 1 nm after annealing at 750 &amp;amp;deg;C for 30 min. Excellent copper diffusion barrier due to high density and complex diffusion pathways. The results of this study suggest that conventional barrier materials can still be used in ultra-narrow copper interconnects.</p> ]]></content:encoded> <dc:title>Amorphous-like TiN Films as Barrier Layers for Copper</dc:title> <dc:creator>Shicheng Han</dc:creator> <dc:creator>Shicheng Yang</dc:creator> <dc:creator>Xiaohong Zeng</dc:creator> <dc:creator>Ying Wu</dc:creator> <dc:creator>Tong Liu</dc:creator> <dc:creator>Hu Wang</dc:creator> <dc:creator>Sunan Ding</dc:creator> <dc:identifier>doi: 10.3390/cryst14110951</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-31</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-31</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>951</prism:startingPage> <prism:doi>10.3390/cryst14110951</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/951</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/950"> <title>Crystals, Vol. 14, Pages 950: The Influence of Deposition Temperature on the Microscopic Process of Diamond-like Carbon (DLC) Film Deposition on a 2024 Aluminum Alloy Surface</title> <link>https://www.mdpi.com/2073-4352/14/11/950</link> <description>In this experiment, plasma-enhanced chemical vapor deposition technology was used to deposit diamond-like carbon thin films on the surface of a 2024 aluminum alloy. The effects of deposition temperature on the microstructure, carbon, silicon, and aluminum element distribution, and film substrate adhesion of diamond-like carbon thin films were studied using field emission scanning electron microscopy, energy-dispersive spectroscopy, XRD, scratch gauge, and ultra-depth-of-field microscopy. The results showed that with the increase in deposition temperature, the thickness of DLC film decreased from 8.72 &amp;amp;mu;m to 5.37 &amp;amp;mu;m, and the film bonded well with the substrate. There is a clear transition layer containing silicon elements between the DLC film and the aluminum alloy substrate. The transition layer is a solid solution formed by aluminum and silicon elements, which increases the bonding strength between the film and substrate. C-Si and C-C exist in the form of covalent bonds and undergo orbital hybridization, making the DLC film more stable. When the deposition temperature exceeds the aging temperature of a 2024 aluminum alloy, it will affect the properties of the aluminum alloy substrate. Therefore, the deposition temperature should be below the aging temperature of the 2024 aluminum alloy for coating. At a deposition temperature of 100 &amp;amp;deg;C, the maximum membrane substrate bonding force is 14.45 N. When a continuous sound signal appears and the friction coefficient is the same as that of the substrate, the film is completely damaged. From the super-depth map of the scratch morphology, it can be seen that, at a deposition temperature of 100 &amp;amp;deg;C, a small amount of thin film detachment appears around the scratch.</description> <pubDate>2024-10-31</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 950: The Influence of Deposition Temperature on the Microscopic Process of Diamond-like Carbon (DLC) Film Deposition on a 2024 Aluminum Alloy Surface</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/950">doi: 10.3390/cryst14110950</a></p> <p>Authors: Li Yang Tong Li Baihui Shang Lili Guo Tong Zhang Weina Han </p> <p>In this experiment, plasma-enhanced chemical vapor deposition technology was used to deposit diamond-like carbon thin films on the surface of a 2024 aluminum alloy. The effects of deposition temperature on the microstructure, carbon, silicon, and aluminum element distribution, and film substrate adhesion of diamond-like carbon thin films were studied using field emission scanning electron microscopy, energy-dispersive spectroscopy, XRD, scratch gauge, and ultra-depth-of-field microscopy. The results showed that with the increase in deposition temperature, the thickness of DLC film decreased from 8.72 &amp;amp;mu;m to 5.37 &amp;amp;mu;m, and the film bonded well with the substrate. There is a clear transition layer containing silicon elements between the DLC film and the aluminum alloy substrate. The transition layer is a solid solution formed by aluminum and silicon elements, which increases the bonding strength between the film and substrate. C-Si and C-C exist in the form of covalent bonds and undergo orbital hybridization, making the DLC film more stable. When the deposition temperature exceeds the aging temperature of a 2024 aluminum alloy, it will affect the properties of the aluminum alloy substrate. Therefore, the deposition temperature should be below the aging temperature of the 2024 aluminum alloy for coating. At a deposition temperature of 100 &amp;amp;deg;C, the maximum membrane substrate bonding force is 14.45 N. When a continuous sound signal appears and the friction coefficient is the same as that of the substrate, the film is completely damaged. From the super-depth map of the scratch morphology, it can be seen that, at a deposition temperature of 100 &amp;amp;deg;C, a small amount of thin film detachment appears around the scratch.</p> ]]></content:encoded> <dc:title>The Influence of Deposition Temperature on the Microscopic Process of Diamond-like Carbon (DLC) Film Deposition on a 2024 Aluminum Alloy Surface</dc:title> <dc:creator>Li Yang</dc:creator> <dc:creator>Tong Li</dc:creator> <dc:creator>Baihui Shang</dc:creator> <dc:creator>Lili Guo</dc:creator> <dc:creator>Tong Zhang</dc:creator> <dc:creator>Weina Han</dc:creator> <dc:identifier>doi: 10.3390/cryst14110950</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-31</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-31</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>950</prism:startingPage> <prism:doi>10.3390/cryst14110950</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/950</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/953"> <title>Crystals, Vol. 14, Pages 953: Self-Organization of Micro- and Nanosystems in the Form of Patterns</title> <link>https://www.mdpi.com/2073-4352/14/11/953</link> <description>In this work, the peculiarities of self-organization of patterned micro- and nanosystems under near-equilibrium condensation conditions were consistently considered. The criteria for stationarity of near-equilibrium condensation were introduced, and interrelations between the condensate local growth kinetics and the corresponding local technological parameters were described. Dissipative self-organization of small supersaturations in physically and chemically active medium-condensate systems were compared. The effectiveness of the unification of dissipative self-organization of small supersaturations and conservative self-organization of patterned micro- and nanosystems formation was shown, which forms the basis of a new concept of complete self-organized systems.</description> <pubDate>2024-10-31</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 953: Self-Organization of Micro- and Nanosystems in the Form of Patterns</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/953">doi: 10.3390/cryst14110953</a></p> <p>Authors: Vyacheslav Perekrestov Anna Kornyushchenko Yuliia Kosminska Maksym Kubakh Gerhard Wilde </p> <p>In this work, the peculiarities of self-organization of patterned micro- and nanosystems under near-equilibrium condensation conditions were consistently considered. The criteria for stationarity of near-equilibrium condensation were introduced, and interrelations between the condensate local growth kinetics and the corresponding local technological parameters were described. Dissipative self-organization of small supersaturations in physically and chemically active medium-condensate systems were compared. The effectiveness of the unification of dissipative self-organization of small supersaturations and conservative self-organization of patterned micro- and nanosystems formation was shown, which forms the basis of a new concept of complete self-organized systems.</p> ]]></content:encoded> <dc:title>Self-Organization of Micro- and Nanosystems in the Form of Patterns</dc:title> <dc:creator>Vyacheslav Perekrestov</dc:creator> <dc:creator>Anna Kornyushchenko</dc:creator> <dc:creator>Yuliia Kosminska</dc:creator> <dc:creator>Maksym Kubakh</dc:creator> <dc:creator>Gerhard Wilde</dc:creator> <dc:identifier>doi: 10.3390/cryst14110953</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-31</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-31</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>953</prism:startingPage> <prism:doi>10.3390/cryst14110953</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/953</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/952"> <title>Crystals, Vol. 14, Pages 952: AlGaN-Based Ultraviolet PIN Photodetector Grown on Silicon Substrates Using SiN Nitridation Process and Step-Graded Buffers</title> <link>https://www.mdpi.com/2073-4352/14/11/952</link> <description>The integration of aluminum gallium nitride (AlGaN) with silicon substrates attracts significant attention due to the superior UV sensitivity of AlGaN and the cost-effectiveness as well as mechanical robustness of silicon. A PIN ultraviolet photodetector with a peak detection wavelength of 274 nm is presented in this paper. By employing a SiN nucleation layer and a step-graded buffer, a high-quality AlGaN-based photodetector structure with a dislocation density of 2.4 &amp;amp;times; 109/cm2 is achieved. A double-temperature annealing technique is utilized to optimize the Ohmic contact of the n-type AlGaN. The fabricated UV photodetector attains a dark current of 0.12 nA at &amp;amp;minus;1 V and a peak responsivity of 0.12 A/W.</description> <pubDate>2024-10-31</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 952: AlGaN-Based Ultraviolet PIN Photodetector Grown on Silicon Substrates Using SiN Nitridation Process and Step-Graded Buffers</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/952">doi: 10.3390/cryst14110952</a></p> <p>Authors: Jian Li Yan Maidebura Yang Zhang Gang Wu Yanmei Su Konstantin Zhuravlev Xin Wei </p> <p>The integration of aluminum gallium nitride (AlGaN) with silicon substrates attracts significant attention due to the superior UV sensitivity of AlGaN and the cost-effectiveness as well as mechanical robustness of silicon. A PIN ultraviolet photodetector with a peak detection wavelength of 274 nm is presented in this paper. By employing a SiN nucleation layer and a step-graded buffer, a high-quality AlGaN-based photodetector structure with a dislocation density of 2.4 &amp;amp;times; 109/cm2 is achieved. A double-temperature annealing technique is utilized to optimize the Ohmic contact of the n-type AlGaN. The fabricated UV photodetector attains a dark current of 0.12 nA at &amp;amp;minus;1 V and a peak responsivity of 0.12 A/W.</p> ]]></content:encoded> <dc:title>AlGaN-Based Ultraviolet PIN Photodetector Grown on Silicon Substrates Using SiN Nitridation Process and Step-Graded Buffers</dc:title> <dc:creator>Jian Li</dc:creator> <dc:creator>Yan Maidebura</dc:creator> <dc:creator>Yang Zhang</dc:creator> <dc:creator>Gang Wu</dc:creator> <dc:creator>Yanmei Su</dc:creator> <dc:creator>Konstantin Zhuravlev</dc:creator> <dc:creator>Xin Wei</dc:creator> <dc:identifier>doi: 10.3390/cryst14110952</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-31</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-31</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>952</prism:startingPage> <prism:doi>10.3390/cryst14110952</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/952</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/949"> <title>Crystals, Vol. 14, Pages 949: Surface Modification of Graphene Oxide and Its Strengthening and Toughening Mechanism for Alumina-Based Ceramic Materials</title> <link>https://www.mdpi.com/2073-4352/14/11/949</link> <description>This study investigated the effects of incorporating reduced-graphene-oxide-coated alumina (Al2O3&amp;amp;ndash;RGO) nanoparticles and unmodified graphene oxide (GO) onto the microstructure as well as the mechanical properties of Al2O3/TiB2 matrix ceramic materials. The microstructure observation revealed that, compared with GO addition, the addition of Al2O3&amp;amp;ndash;RGO nanoparticles significantly improved RGO dispersion in the ceramic materials and reduced defects such as pores caused by graphene agglomeration. In addition, the uniformly dispersed RGO nanosheets were interwoven with each other to form a three-dimensional grid structure due to grain growth and the disappearance of pores during sintering, which increased the contact area and interface-bonding strength between the RGO and ceramic matrix. According to the results of microstructure observation and analysis, the good interfacial strength not only facilitated load transfer from the ceramic matrix to the RGO but also induced the fracture mechanism of the RGO, which consumes more fracture energy than the traditional toughening mechanism. The results of mechanical properties analysis showed that the hardness, flexural strength, and fracture toughness of the obtained ATB&amp;amp;ndash;RG3.0 ceramic material was measured at 19.52 GPa, 1063.52 MPa, and 9.16 MPa&amp;amp;middot;m1/2, respectively. These values are 16.82%, 27.92%, and 26.87% higher than those of the ceramic material with 3.0 vol.% GO.</description> <pubDate>2024-10-31</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 949: Surface Modification of Graphene Oxide and Its Strengthening and Toughening Mechanism for Alumina-Based Ceramic Materials</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/949">doi: 10.3390/cryst14110949</a></p> <p>Authors: Yangyang Hu Zhenzhen Feng Yonghui Xie Hongyang Wang Qinglong Ji Jiaoni Wang Chonghai Xu </p> <p>This study investigated the effects of incorporating reduced-graphene-oxide-coated alumina (Al2O3&amp;amp;ndash;RGO) nanoparticles and unmodified graphene oxide (GO) onto the microstructure as well as the mechanical properties of Al2O3/TiB2 matrix ceramic materials. The microstructure observation revealed that, compared with GO addition, the addition of Al2O3&amp;amp;ndash;RGO nanoparticles significantly improved RGO dispersion in the ceramic materials and reduced defects such as pores caused by graphene agglomeration. In addition, the uniformly dispersed RGO nanosheets were interwoven with each other to form a three-dimensional grid structure due to grain growth and the disappearance of pores during sintering, which increased the contact area and interface-bonding strength between the RGO and ceramic matrix. According to the results of microstructure observation and analysis, the good interfacial strength not only facilitated load transfer from the ceramic matrix to the RGO but also induced the fracture mechanism of the RGO, which consumes more fracture energy than the traditional toughening mechanism. The results of mechanical properties analysis showed that the hardness, flexural strength, and fracture toughness of the obtained ATB&amp;amp;ndash;RG3.0 ceramic material was measured at 19.52 GPa, 1063.52 MPa, and 9.16 MPa&amp;amp;middot;m1/2, respectively. These values are 16.82%, 27.92%, and 26.87% higher than those of the ceramic material with 3.0 vol.% GO.</p> ]]></content:encoded> <dc:title>Surface Modification of Graphene Oxide and Its Strengthening and Toughening Mechanism for Alumina-Based Ceramic Materials</dc:title> <dc:creator>Yangyang Hu</dc:creator> <dc:creator>Zhenzhen Feng</dc:creator> <dc:creator>Yonghui Xie</dc:creator> <dc:creator>Hongyang Wang</dc:creator> <dc:creator>Qinglong Ji</dc:creator> <dc:creator>Jiaoni Wang</dc:creator> <dc:creator>Chonghai Xu</dc:creator> <dc:identifier>doi: 10.3390/cryst14110949</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-31</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-31</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>949</prism:startingPage> <prism:doi>10.3390/cryst14110949</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/949</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/948"> <title>Crystals, Vol. 14, Pages 948: Wear Behaviour of Graphene-Reinforced Ti-Cu Waste-Metal Friction Composites Fabricated with Spark Plasma Sintering</title> <link>https://www.mdpi.com/2073-4352/14/11/948</link> <description>In this study, we fabricated Ti-Cu-based friction composites containing waste-metal (Ti, CuZn, stainless steel (SSt), MgAl), Al2O3 due to improving properties and its good compatibility with copper and graphene nanoplatelets as reinforcement and lubricant component, using planetary ball mill and technique based on Spark Plasma Sintering (SPS). Understanding the wear behaviour of such engineered friction composites is essential to improve their material design and safety, as these materials could have the potential for use in public and industrial transportation, such as high-speed rail trains and aircraft or cars. This is why our study is focused on wear behaviour during friction between function parts of devices. We investigated the composite materials designed by us in order to clarify their microstructural state and mechanical properties. Using different loading conditions, we determined the Coefficient of Friction (COF) using a ball-on-disc tribological test. We analysed the state of the samples after the mentioned test using a Scanning Electron Microscope (SEM), then Energy-Dispersive X-ray Spectroscopy (EDS), and confocal microscopy. Also, a comparative analysis of friction properties with previously studied materials was performed. The results showed that friction composites with different compositions, despite the same conditions of their compaction during sintering, can be defined by different wear characteristics. Our study can potentially have a significant contribution to the understanding of wear mechanisms of Ti-Cu-based composites with incorporated metal-waste and to improving their material design and performance. Also, it can give us information about the possibilities of reusing metal-waste from different machining operations.</description> <pubDate>2024-10-31</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 948: Wear Behaviour of Graphene-Reinforced Ti-Cu Waste-Metal Friction Composites Fabricated with Spark Plasma Sintering</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/948">doi: 10.3390/cryst14110948</a></p> <p>Authors: M谩ria Podobov谩 Viktor Puch媒 Richard Sedl谩k D谩vid Medve膹 R贸bert D啪unda Franti拧ek Kromka </p> <p>In this study, we fabricated Ti-Cu-based friction composites containing waste-metal (Ti, CuZn, stainless steel (SSt), MgAl), Al2O3 due to improving properties and its good compatibility with copper and graphene nanoplatelets as reinforcement and lubricant component, using planetary ball mill and technique based on Spark Plasma Sintering (SPS). Understanding the wear behaviour of such engineered friction composites is essential to improve their material design and safety, as these materials could have the potential for use in public and industrial transportation, such as high-speed rail trains and aircraft or cars. This is why our study is focused on wear behaviour during friction between function parts of devices. We investigated the composite materials designed by us in order to clarify their microstructural state and mechanical properties. Using different loading conditions, we determined the Coefficient of Friction (COF) using a ball-on-disc tribological test. We analysed the state of the samples after the mentioned test using a Scanning Electron Microscope (SEM), then Energy-Dispersive X-ray Spectroscopy (EDS), and confocal microscopy. Also, a comparative analysis of friction properties with previously studied materials was performed. The results showed that friction composites with different compositions, despite the same conditions of their compaction during sintering, can be defined by different wear characteristics. Our study can potentially have a significant contribution to the understanding of wear mechanisms of Ti-Cu-based composites with incorporated metal-waste and to improving their material design and performance. Also, it can give us information about the possibilities of reusing metal-waste from different machining operations.</p> ]]></content:encoded> <dc:title>Wear Behaviour of Graphene-Reinforced Ti-Cu Waste-Metal Friction Composites Fabricated with Spark Plasma Sintering</dc:title> <dc:creator>M谩ria Podobov谩</dc:creator> <dc:creator>Viktor Puch媒</dc:creator> <dc:creator>Richard Sedl谩k</dc:creator> <dc:creator>D谩vid Medve膹</dc:creator> <dc:creator>R贸bert D啪unda</dc:creator> <dc:creator>Franti拧ek Kromka</dc:creator> <dc:identifier>doi: 10.3390/cryst14110948</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-31</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-31</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>948</prism:startingPage> <prism:doi>10.3390/cryst14110948</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/948</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/947"> <title>Crystals, Vol. 14, Pages 947: Influence of Various Binder Jet Printers on the Additive Manufacturing of Hardmetals</title> <link>https://www.mdpi.com/2073-4352/14/11/947</link> <description>Binder Jetting (BJT), a powder-based additive manufacturing technology, has been shown to be a fast and reproducible green shaping process for many different metals. Due to its high productivity and versatility in material processing, BJT is gaining increasing importance in the manufacturing sector. It can also be used for the production of WC-Co hardmetals, a primary ceramic-based composite often used for tools and wear parts. Five different BJT printers from four different manufacturers were evaluated to assess their effectiveness and feasibility in producing hardmetals based on the same WC-12 wt.% Co starting powders. The analysis focused on comparing the properties of the resulting hardmetals, as well as evaluating the printing performance. The results show that all tested BJT printers are fundamentally well suited for producing green hardmetal parts, which can achieve full density after sintering. This work highlights the potential of BJT technology in hardmetal manufacturing for tool production.</description> <pubDate>2024-10-31</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 947: Influence of Various Binder Jet Printers on the Additive Manufacturing of Hardmetals</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/947">doi: 10.3390/cryst14110947</a></p> <p>Authors: Christian Berger Johannes P枚tschke Uwe Scheithauer Alexander Michaelis </p> <p>Binder Jetting (BJT), a powder-based additive manufacturing technology, has been shown to be a fast and reproducible green shaping process for many different metals. Due to its high productivity and versatility in material processing, BJT is gaining increasing importance in the manufacturing sector. It can also be used for the production of WC-Co hardmetals, a primary ceramic-based composite often used for tools and wear parts. Five different BJT printers from four different manufacturers were evaluated to assess their effectiveness and feasibility in producing hardmetals based on the same WC-12 wt.% Co starting powders. The analysis focused on comparing the properties of the resulting hardmetals, as well as evaluating the printing performance. The results show that all tested BJT printers are fundamentally well suited for producing green hardmetal parts, which can achieve full density after sintering. This work highlights the potential of BJT technology in hardmetal manufacturing for tool production.</p> ]]></content:encoded> <dc:title>Influence of Various Binder Jet Printers on the Additive Manufacturing of Hardmetals</dc:title> <dc:creator>Christian Berger</dc:creator> <dc:creator>Johannes P枚tschke</dc:creator> <dc:creator>Uwe Scheithauer</dc:creator> <dc:creator>Alexander Michaelis</dc:creator> <dc:identifier>doi: 10.3390/cryst14110947</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-31</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-31</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>947</prism:startingPage> <prism:doi>10.3390/cryst14110947</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/947</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/946"> <title>Crystals, Vol. 14, Pages 946: Influence of Heat Treatment on the Microstructure and Tensile Properties of a Novel Nitrogenous Nickel-Based Deposited Metal</title> <link>https://www.mdpi.com/2073-4352/14/11/946</link> <description>Nitrogenous nickel-based deposited metal was prepared by using the gas metal arc welding (GMAW) method, and it was further subjected to solid-solution and aging heat treatment. The influence of different solid-solution temperatures on the microstructure of the deposited metal was studied, and the complete heat treatment system for the nitrogenous nickel-based deposited metal was ultimately determined. The microstructure, mechanical properties, and deformation mechanism of the nitrogenous nickel-based deposited metal in two states (as-prepared state and complete heat-treated state) were finally investigated. The results show that the microstructure of the deposited metal mainly consisted of epitaxially grown columnar grains with large grains. Petal-like Laves phases formed between the dendrites. The main deformation mechanism was the unit dislocation a/2&amp;amp;lt;110&amp;amp;gt; cut precipitation phase. After a complete heat treatment, all the Laves phases were re-melted, and nanoscale M(C,N) phases precipitated in the grains, while M23C6 phases formed at the grain boundaries. The samples showed higher yield and ultimate tensile strengths than those of the as-prepared state metal, but with reduced ductility. The deformation mechanism involved not only a/2&amp;amp;lt;110&amp;amp;gt; matrix dislocations cutting the precipitated phase, but also two a/6&amp;amp;lt;121&amp;amp;gt; Shockley incomplete dislocations, together cutting the precipitated phase to form a stacking layer dislocation.</description> <pubDate>2024-10-30</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 946: Influence of Heat Treatment on the Microstructure and Tensile Properties of a Novel Nitrogenous Nickel-Based Deposited Metal</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/946">doi: 10.3390/cryst14110946</a></p> <p>Authors: Yingdi Wang Zhiyong Dai Yunhai Su </p> <p>Nitrogenous nickel-based deposited metal was prepared by using the gas metal arc welding (GMAW) method, and it was further subjected to solid-solution and aging heat treatment. The influence of different solid-solution temperatures on the microstructure of the deposited metal was studied, and the complete heat treatment system for the nitrogenous nickel-based deposited metal was ultimately determined. The microstructure, mechanical properties, and deformation mechanism of the nitrogenous nickel-based deposited metal in two states (as-prepared state and complete heat-treated state) were finally investigated. The results show that the microstructure of the deposited metal mainly consisted of epitaxially grown columnar grains with large grains. Petal-like Laves phases formed between the dendrites. The main deformation mechanism was the unit dislocation a/2&amp;amp;lt;110&amp;amp;gt; cut precipitation phase. After a complete heat treatment, all the Laves phases were re-melted, and nanoscale M(C,N) phases precipitated in the grains, while M23C6 phases formed at the grain boundaries. The samples showed higher yield and ultimate tensile strengths than those of the as-prepared state metal, but with reduced ductility. The deformation mechanism involved not only a/2&amp;amp;lt;110&amp;amp;gt; matrix dislocations cutting the precipitated phase, but also two a/6&amp;amp;lt;121&amp;amp;gt; Shockley incomplete dislocations, together cutting the precipitated phase to form a stacking layer dislocation.</p> ]]></content:encoded> <dc:title>Influence of Heat Treatment on the Microstructure and Tensile Properties of a Novel Nitrogenous Nickel-Based Deposited Metal</dc:title> <dc:creator>Yingdi Wang</dc:creator> <dc:creator>Zhiyong Dai</dc:creator> <dc:creator>Yunhai Su</dc:creator> <dc:identifier>doi: 10.3390/cryst14110946</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-30</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-30</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>946</prism:startingPage> <prism:doi>10.3390/cryst14110946</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/946</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/945"> <title>Crystals, Vol. 14, Pages 945: Surface Modification and Tribological Performance of Calcium Phosphate Coatings with TiO2 Nanoparticles on VT1-0 Titanium by Micro-Arc Oxidation</title> <link>https://www.mdpi.com/2073-4352/14/11/945</link> <description>The continuous development of biomedical materials necessitates exploring new solutions to enhance implant performance. This study investigates the impact of titanium dioxide nanoparticles on calcium phosphate coatings applied to VT1-0 titanium substrates using micro-arc oxidation. Titanium, widely recognized for its excellent mechanical properties and compatibility, serves as an ideal substrate for implants. The coatings were synthesized in an electrolyte with varying titanium dioxide concentrations to examine their influence on surface morphology, wettability, roughness, hardness, and tribological characteristics. Characterization techniques, such as scanning electron microscopy, X-ray diffraction, and profilometry, were employed to analyze the coatings&amp;amp;rsquo; structural and mechanical properties. The results demonstrate that increasing titanium dioxide concentrations leads to enhanced uniformity, reduced pore sizes, and higher hardness. Furthermore, the coatings showed improved wear resistance and reductions in friction coefficients at optimal nanoparticle levels. The inclusion of titanium dioxide significantly enhances the mechanical and tribological performance of the calcium phosphate coatings, making them suitable for biomedical applications, especially in implants requiring long-term durability and enhanced compatibility.</description> <pubDate>2024-10-30</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 945: Surface Modification and Tribological Performance of Calcium Phosphate Coatings with TiO2 Nanoparticles on VT1-0 Titanium by Micro-Arc Oxidation</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/945">doi: 10.3390/cryst14110945</a></p> <p>Authors: Bauyrzhan Rakhadilov Ainur Zhassulan Kuanysh Ormanbekov Aibek Shynarbek Daryn Baizhan Tamara Aldabergenova </p> <p>The continuous development of biomedical materials necessitates exploring new solutions to enhance implant performance. This study investigates the impact of titanium dioxide nanoparticles on calcium phosphate coatings applied to VT1-0 titanium substrates using micro-arc oxidation. Titanium, widely recognized for its excellent mechanical properties and compatibility, serves as an ideal substrate for implants. The coatings were synthesized in an electrolyte with varying titanium dioxide concentrations to examine their influence on surface morphology, wettability, roughness, hardness, and tribological characteristics. Characterization techniques, such as scanning electron microscopy, X-ray diffraction, and profilometry, were employed to analyze the coatings&amp;amp;rsquo; structural and mechanical properties. The results demonstrate that increasing titanium dioxide concentrations leads to enhanced uniformity, reduced pore sizes, and higher hardness. Furthermore, the coatings showed improved wear resistance and reductions in friction coefficients at optimal nanoparticle levels. The inclusion of titanium dioxide significantly enhances the mechanical and tribological performance of the calcium phosphate coatings, making them suitable for biomedical applications, especially in implants requiring long-term durability and enhanced compatibility.</p> ]]></content:encoded> <dc:title>Surface Modification and Tribological Performance of Calcium Phosphate Coatings with TiO2 Nanoparticles on VT1-0 Titanium by Micro-Arc Oxidation</dc:title> <dc:creator>Bauyrzhan Rakhadilov</dc:creator> <dc:creator>Ainur Zhassulan</dc:creator> <dc:creator>Kuanysh Ormanbekov</dc:creator> <dc:creator>Aibek Shynarbek</dc:creator> <dc:creator>Daryn Baizhan</dc:creator> <dc:creator>Tamara Aldabergenova</dc:creator> <dc:identifier>doi: 10.3390/cryst14110945</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-30</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-30</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>945</prism:startingPage> <prism:doi>10.3390/cryst14110945</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/945</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/944"> <title>Crystals, Vol. 14, Pages 944: A New Heterometallic Silver/Cadmium Thiocyanate Directed by Benzyl Viologen Possessing Photocurrent Response and Photocatalytic Degradation on Rhodamine B in Artificial Seawater</title> <link>https://www.mdpi.com/2073-4352/14/11/944</link> <description>The search for new heterometallic metal pseudohalides will be significant for the development of novel functional materials. In this work, a new silver/cadmium heterometallic thiocyanate templated by benzyl viologen has been synthesized and structurally determined, i.e., {(BV)[Ag2Cd(SCN)6]}n&amp;amp;nbsp;(BV2+ = benzyl viologen). The interesting 1-D double chain [Ag2Cd(SCN)6]n2n&amp;amp;minus; was constructed from the CdN6 octahedron and Ag2SCN6 dimers via &amp;amp;mu;2-SCN and &amp;amp;mu;3-S,S N SCN bridge, in which the Ag&amp;amp;middot;&amp;amp;middot;&amp;amp;middot;Ag interaction can be found. Inter-molecular C-H&amp;amp;middot;&amp;amp;middot;&amp;amp;middot;S/N hydrogen bonds between BV2+ cations and [Ag2Cd(SCN)6]n2n&amp;amp;minus; chains contribute to the formation of a stable 3-D network. The short S&amp;amp;middot;&amp;amp;middot;&amp;amp;middot;N distance implies the strong charge transfer (CT) interactions between the electron-rich silver/cadmium thiocyanate donor and BV2+ acceptor. This hybrid can exhibit a photo-generated current performance with an intensity of 1.75 &amp;amp;times; 10&amp;amp;minus;8 A. Interestingly, this hybrid can present good photocatalytic degradation performance on rhodamine B in artificial seawater with a degradation ratio of 86.5% in 240 min. This work provides a new catalyst way for the organic dye-type ocean pollutant treatments.</description> <pubDate>2024-10-30</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 944: A New Heterometallic Silver/Cadmium Thiocyanate Directed by Benzyl Viologen Possessing Photocurrent Response and Photocatalytic Degradation on Rhodamine B in Artificial Seawater</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/944">doi: 10.3390/cryst14110944</a></p> <p>Authors: Xueqiang Zhuang Xihe Huang Haohong Li Tianjin Lin Yali Gao </p> <p>The search for new heterometallic metal pseudohalides will be significant for the development of novel functional materials. In this work, a new silver/cadmium heterometallic thiocyanate templated by benzyl viologen has been synthesized and structurally determined, i.e., {(BV)[Ag2Cd(SCN)6]}n&amp;amp;nbsp;(BV2+ = benzyl viologen). The interesting 1-D double chain [Ag2Cd(SCN)6]n2n&amp;amp;minus; was constructed from the CdN6 octahedron and Ag2SCN6 dimers via &amp;amp;mu;2-SCN and &amp;amp;mu;3-S,S N SCN bridge, in which the Ag&amp;amp;middot;&amp;amp;middot;&amp;amp;middot;Ag interaction can be found. Inter-molecular C-H&amp;amp;middot;&amp;amp;middot;&amp;amp;middot;S/N hydrogen bonds between BV2+ cations and [Ag2Cd(SCN)6]n2n&amp;amp;minus; chains contribute to the formation of a stable 3-D network. The short S&amp;amp;middot;&amp;amp;middot;&amp;amp;middot;N distance implies the strong charge transfer (CT) interactions between the electron-rich silver/cadmium thiocyanate donor and BV2+ acceptor. This hybrid can exhibit a photo-generated current performance with an intensity of 1.75 &amp;amp;times; 10&amp;amp;minus;8 A. Interestingly, this hybrid can present good photocatalytic degradation performance on rhodamine B in artificial seawater with a degradation ratio of 86.5% in 240 min. This work provides a new catalyst way for the organic dye-type ocean pollutant treatments.</p> ]]></content:encoded> <dc:title>A New Heterometallic Silver/Cadmium Thiocyanate Directed by Benzyl Viologen Possessing Photocurrent Response and Photocatalytic Degradation on Rhodamine B in Artificial Seawater</dc:title> <dc:creator>Xueqiang Zhuang</dc:creator> <dc:creator>Xihe Huang</dc:creator> <dc:creator>Haohong Li</dc:creator> <dc:creator>Tianjin Lin</dc:creator> <dc:creator>Yali Gao</dc:creator> <dc:identifier>doi: 10.3390/cryst14110944</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-30</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-30</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>944</prism:startingPage> <prism:doi>10.3390/cryst14110944</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/944</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/943"> <title>Crystals, Vol. 14, Pages 943: A Fluorescence Sensor Based on Biphenolic Backbone for Metal Ion Detection: Synthesis and Crystal Structure</title> <link>https://www.mdpi.com/2073-4352/14/11/943</link> <description>2&amp;amp;prime;-(hexyloxy)-[1,1&amp;amp;prime;-biphenyl]-2-yl 5-(dimethylamino)naphthalene-1-sulfonate (KC1) was synthesized by using biphenol and dansyl chloride as starting materials. The KC1 was characterized via single X-ray diffraction, FTIR, HRMS and 1H and 13C-NMR. The KC1 indicates triclinic as P1 in the space group type. From the KC1, the biphenolic backbone structure is twisted at an angle of 54.48&amp;amp;deg; due to connecting the dansyl unit and hexyl moiety. Upon the addition of the Fe3+ ion to the KC1 solution, the fluorescence emission at 585 nm of KC1 was quenched due to complexation between KC1 and the Fe3+ ion. The complexation ratio of KC1 and Fe3+ was determined to be a 1:1 formation via Job&amp;amp;rsquo;s analysis. The Stern&amp;amp;ndash;Volmer constant (Ksv) calculated was 21,203 M&amp;amp;minus;1 for the KC1 and the Fe3+ ion complex.</description> <pubDate>2024-10-30</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 943: A Fluorescence Sensor Based on Biphenolic Backbone for Metal Ion Detection: Synthesis and Crystal Structure</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/943">doi: 10.3390/cryst14110943</a></p> <p>Authors: Kanokporn Chantaniyomporn Kiratikarn Charoensuk Tanwawan Duangthongyou Kittipong Chainok Boontana Wannalerse </p> <p>2&amp;amp;prime;-(hexyloxy)-[1,1&amp;amp;prime;-biphenyl]-2-yl 5-(dimethylamino)naphthalene-1-sulfonate (KC1) was synthesized by using biphenol and dansyl chloride as starting materials. The KC1 was characterized via single X-ray diffraction, FTIR, HRMS and 1H and 13C-NMR. The KC1 indicates triclinic as P1 in the space group type. From the KC1, the biphenolic backbone structure is twisted at an angle of 54.48&amp;amp;deg; due to connecting the dansyl unit and hexyl moiety. Upon the addition of the Fe3+ ion to the KC1 solution, the fluorescence emission at 585 nm of KC1 was quenched due to complexation between KC1 and the Fe3+ ion. The complexation ratio of KC1 and Fe3+ was determined to be a 1:1 formation via Job&amp;amp;rsquo;s analysis. The Stern&amp;amp;ndash;Volmer constant (Ksv) calculated was 21,203 M&amp;amp;minus;1 for the KC1 and the Fe3+ ion complex.</p> ]]></content:encoded> <dc:title>A Fluorescence Sensor Based on Biphenolic Backbone for Metal Ion Detection: Synthesis and Crystal Structure</dc:title> <dc:creator>Kanokporn Chantaniyomporn</dc:creator> <dc:creator>Kiratikarn Charoensuk</dc:creator> <dc:creator>Tanwawan Duangthongyou</dc:creator> <dc:creator>Kittipong Chainok</dc:creator> <dc:creator>Boontana Wannalerse</dc:creator> <dc:identifier>doi: 10.3390/cryst14110943</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-30</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-30</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>943</prism:startingPage> <prism:doi>10.3390/cryst14110943</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/943</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/942"> <title>Crystals, Vol. 14, Pages 942: Structural and Optical Properties of SrTiO3-Based Ceramics for Energy and Electronics Applications</title> <link>https://www.mdpi.com/2073-4352/14/11/942</link> <description>A series of Sr1&amp;amp;minus;xDyxTi1&amp;amp;minus;yNbyO3&amp;amp;minus;&amp;amp;delta; (0.05 &amp;amp;le; x, y &amp;amp;le; 0.10) samples were fabricated using cold compaction, followed by sintering in a (95% N2 + 5% H2) reducing atmosphere. We studied the crystal structure and optical properties of Sr1&amp;amp;minus;xDyxTi1&amp;amp;minus;yNbyO3&amp;amp;minus;&amp;amp;delta; using X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and ultraviolet&amp;amp;minus;visible&amp;amp;minus;near-infrared (UV&amp;amp;minus;VIS&amp;amp;minus;NIR) spectroscopy. The sintered Sr1&amp;amp;minus;xDyxTi1&amp;amp;minus;yNbyO3&amp;amp;minus;&amp;amp;delta; had a tetragonal structure (I4/mcm space group). In the sintered samples, Ti ions existed as a mixture of Ti3+ and Ti4+, and Nb ions existed as a mixture of Nb4+ and Nb5+. The band-gap energies decreased with increasing Dy/Nb concentrations. The incorporation of Ti and Nb ions, the formation of both Ti3+ and Nb4+ ions, and the reduction in band-gap energies are likely highly effective for increasing the electron concentration and the corresponding electrical conductivity. Sr1&amp;amp;minus;xDyxTi1&amp;amp;minus;yNbyO3&amp;amp;minus;&amp;amp;delta; with high electrical conductivity is suitable for energy and electronics applications.</description> <pubDate>2024-10-30</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 942: Structural and Optical Properties of SrTiO3-Based Ceramics for Energy and Electronics Applications</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/942">doi: 10.3390/cryst14110942</a></p> <p>Authors: Donghoon Kim Soyeon Gwon Kyeongsoon Park Eui-Chan Jeon </p> <p>A series of Sr1&amp;amp;minus;xDyxTi1&amp;amp;minus;yNbyO3&amp;amp;minus;&amp;amp;delta; (0.05 &amp;amp;le; x, y &amp;amp;le; 0.10) samples were fabricated using cold compaction, followed by sintering in a (95% N2 + 5% H2) reducing atmosphere. We studied the crystal structure and optical properties of Sr1&amp;amp;minus;xDyxTi1&amp;amp;minus;yNbyO3&amp;amp;minus;&amp;amp;delta; using X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and ultraviolet&amp;amp;minus;visible&amp;amp;minus;near-infrared (UV&amp;amp;minus;VIS&amp;amp;minus;NIR) spectroscopy. The sintered Sr1&amp;amp;minus;xDyxTi1&amp;amp;minus;yNbyO3&amp;amp;minus;&amp;amp;delta; had a tetragonal structure (I4/mcm space group). In the sintered samples, Ti ions existed as a mixture of Ti3+ and Ti4+, and Nb ions existed as a mixture of Nb4+ and Nb5+. The band-gap energies decreased with increasing Dy/Nb concentrations. The incorporation of Ti and Nb ions, the formation of both Ti3+ and Nb4+ ions, and the reduction in band-gap energies are likely highly effective for increasing the electron concentration and the corresponding electrical conductivity. Sr1&amp;amp;minus;xDyxTi1&amp;amp;minus;yNbyO3&amp;amp;minus;&amp;amp;delta; with high electrical conductivity is suitable for energy and electronics applications.</p> ]]></content:encoded> <dc:title>Structural and Optical Properties of SrTiO3-Based Ceramics for Energy and Electronics Applications</dc:title> <dc:creator>Donghoon Kim</dc:creator> <dc:creator>Soyeon Gwon</dc:creator> <dc:creator>Kyeongsoon Park</dc:creator> <dc:creator>Eui-Chan Jeon</dc:creator> <dc:identifier>doi: 10.3390/cryst14110942</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-30</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-30</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>942</prism:startingPage> <prism:doi>10.3390/cryst14110942</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/942</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/941"> <title>Crystals, Vol. 14, Pages 941: Structural, Morphological, and Optical Properties of Nano- and Micro-Structures of ZnO Obtained by the Vapor&amp;ndash;Solid Method at Atmospheric Pressure and Photocatalytic Activity</title> <link>https://www.mdpi.com/2073-4352/14/11/941</link> <description>Micro- and nano-structures of ZnO were synthesized by the vapor&amp;amp;ndash;solid method at 600, 700, and 800 &amp;amp;deg;C in atmospheres of Ar and air, at atmospheric pressure. The structural characterization XRD shows that the nano-structures synthesized in air atmosphere at 600 &amp;amp;deg;C, while diffraction peaks were found due to Zn because the presence of metallic Zn remains on the surface of the pellet. SEM images show that the morphologies range from nano-wires to micro-tubes. When cathodoluminescence is measured in micro-tubes, there is a shift of the near-band edge of the ZnO toward red; this is due to structural defects in the ZnO network. This result is corroborated with panchromatic CL measurements, which exhibit a difference in brightness between the micro-tubes. Furthermore, EDS measurements show an atomic quantity ratio of Zn:O that differs from the stoichiometric composition in the micro-tubes. The photocatalytic activity of three types of structures&amp;amp;mdash;nano-wires, micro-tubes, and micro-rods under UV irradiation using methylene blue as a model pollutant&amp;amp;mdash;were evaluated. The best response was obtained for nanowires, not only because they have a larger surface area but also because of the present defects.</description> <pubDate>2024-10-30</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 941: Structural, Morphological, and Optical Properties of Nano- and Micro-Structures of ZnO Obtained by the Vapor&amp;ndash;Solid Method at Atmospheric Pressure and Photocatalytic Activity</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/941">doi: 10.3390/cryst14110941</a></p> <p>Authors: Carlos Bueno Adan Luna Gregorio Flores H茅ctor Ju谩rez Mauricio Pacio Ren茅 P茅rez Javier Flores-M茅ndez David Maestre Ra煤l Cort茅s-Maldonado </p> <p>Micro- and nano-structures of ZnO were synthesized by the vapor&amp;amp;ndash;solid method at 600, 700, and 800 &amp;amp;deg;C in atmospheres of Ar and air, at atmospheric pressure. The structural characterization XRD shows that the nano-structures synthesized in air atmosphere at 600 &amp;amp;deg;C, while diffraction peaks were found due to Zn because the presence of metallic Zn remains on the surface of the pellet. SEM images show that the morphologies range from nano-wires to micro-tubes. When cathodoluminescence is measured in micro-tubes, there is a shift of the near-band edge of the ZnO toward red; this is due to structural defects in the ZnO network. This result is corroborated with panchromatic CL measurements, which exhibit a difference in brightness between the micro-tubes. Furthermore, EDS measurements show an atomic quantity ratio of Zn:O that differs from the stoichiometric composition in the micro-tubes. The photocatalytic activity of three types of structures&amp;amp;mdash;nano-wires, micro-tubes, and micro-rods under UV irradiation using methylene blue as a model pollutant&amp;amp;mdash;were evaluated. The best response was obtained for nanowires, not only because they have a larger surface area but also because of the present defects.</p> ]]></content:encoded> <dc:title>Structural, Morphological, and Optical Properties of Nano- and Micro-Structures of ZnO Obtained by the Vapor&amp;amp;ndash;Solid Method at Atmospheric Pressure and Photocatalytic Activity</dc:title> <dc:creator>Carlos Bueno</dc:creator> <dc:creator>Adan Luna</dc:creator> <dc:creator>Gregorio Flores</dc:creator> <dc:creator>H茅ctor Ju谩rez</dc:creator> <dc:creator>Mauricio Pacio</dc:creator> <dc:creator>Ren茅 P茅rez</dc:creator> <dc:creator>Javier Flores-M茅ndez</dc:creator> <dc:creator>David Maestre</dc:creator> <dc:creator>Ra煤l Cort茅s-Maldonado</dc:creator> <dc:identifier>doi: 10.3390/cryst14110941</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-30</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-30</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>941</prism:startingPage> <prism:doi>10.3390/cryst14110941</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/941</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/940"> <title>Crystals, Vol. 14, Pages 940: An Analytical Study for Explosive Grain Initiation</title> <link>https://www.mdpi.com/2073-4352/14/11/940</link> <description>The most common form of solidification of metals is heterogeneous nucleation, in which the particles, regardless of whether they are endogenous or exogenous, nucleate the primary crystal phase, becoming solid crystal particles and, subsequently, initiating into grains during solidification. Explosive grain initiation has been proposed recently for these particles, which have significant nucleation undercooling, in which once nucleation happens, a certain number of solid particles can initiate into grains simultaneously, resulting in recalescence. This is a different form of grain initiation and has high potential for more significant grain refinement in casting alloys. In this work, an analytical model is designed to describe explosive grain initiation, based on which the criteria for the three different grain initiation forms, explosive grain initiation (EGI), hybrid grain initiation (HGI), and progressive grain initiation (PGI), are derived. These criteria are employed to develop a grain initiation map for the Mg-Al alloy system inoculated with nucleant particles having a log-normal size distribution. This work can not only help us to understand the effect of each condition, such as the cooling rate and the solute concentration, on grain initiation behaviors, but also predict the grain size for alloy systems with relatively impotent nucleant particles during solidification.</description> <pubDate>2024-10-30</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 940: An Analytical Study for Explosive Grain Initiation</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/940">doi: 10.3390/cryst14110940</a></p> <p>Authors: Feng Gao Zhongyun Fan </p> <p>The most common form of solidification of metals is heterogeneous nucleation, in which the particles, regardless of whether they are endogenous or exogenous, nucleate the primary crystal phase, becoming solid crystal particles and, subsequently, initiating into grains during solidification. Explosive grain initiation has been proposed recently for these particles, which have significant nucleation undercooling, in which once nucleation happens, a certain number of solid particles can initiate into grains simultaneously, resulting in recalescence. This is a different form of grain initiation and has high potential for more significant grain refinement in casting alloys. In this work, an analytical model is designed to describe explosive grain initiation, based on which the criteria for the three different grain initiation forms, explosive grain initiation (EGI), hybrid grain initiation (HGI), and progressive grain initiation (PGI), are derived. These criteria are employed to develop a grain initiation map for the Mg-Al alloy system inoculated with nucleant particles having a log-normal size distribution. This work can not only help us to understand the effect of each condition, such as the cooling rate and the solute concentration, on grain initiation behaviors, but also predict the grain size for alloy systems with relatively impotent nucleant particles during solidification.</p> ]]></content:encoded> <dc:title>An Analytical Study for Explosive Grain Initiation</dc:title> <dc:creator>Feng Gao</dc:creator> <dc:creator>Zhongyun Fan</dc:creator> <dc:identifier>doi: 10.3390/cryst14110940</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-30</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-30</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>940</prism:startingPage> <prism:doi>10.3390/cryst14110940</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/940</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/939"> <title>Crystals, Vol. 14, Pages 939: Antibacterial Pure Magnesium and Magnesium Alloys for Biomedical Materials&amp;mdash;A Review</title> <link>https://www.mdpi.com/2073-4352/14/11/939</link> <description>Implant-related infections are one of the major challenges faced by orthopedic surgeries. Developing implants with inherent antibacterial properties is an effective strategy to address this issue. Biodegradable magnesium and magnesium alloys have become a research hotspot due to their good bioactivity, mechanical properties, biocompatibility, and excellent antibacterial ability. However, magnesium and its alloys have rapid corrosion, and the difficulty in expelling harmful magnesium ions and hydrogen gas produced by degradation from the body. This review summarizes the mainstream surface modification techniques such as laser surface modification, friction stir processing, and micro-arc oxidation, along with their impact on the antimicrobial properties of magnesium-based materials. This paper reviews the latest research progress on improving the antibacterial properties of magnesium alloys through alloying and introduces the antibacterial effects of mainstream magnesium alloys and also elaborates on the antibacterial mechanism of magnesium alloy materials. It is expected to provide more basis and insights for the design of biodegradable magnesium alloys with antibacterial properties, thereby promoting their development and clinical application.</description> <pubDate>2024-10-30</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 939: Antibacterial Pure Magnesium and Magnesium Alloys for Biomedical Materials&amp;mdash;A Review</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/939">doi: 10.3390/cryst14110939</a></p> <p>Authors: Qingfeng Song Lingzhi Yang Fang Yi Chao Chen Jing Guo Zihua Qi Yihan Song </p> <p>Implant-related infections are one of the major challenges faced by orthopedic surgeries. Developing implants with inherent antibacterial properties is an effective strategy to address this issue. Biodegradable magnesium and magnesium alloys have become a research hotspot due to their good bioactivity, mechanical properties, biocompatibility, and excellent antibacterial ability. However, magnesium and its alloys have rapid corrosion, and the difficulty in expelling harmful magnesium ions and hydrogen gas produced by degradation from the body. This review summarizes the mainstream surface modification techniques such as laser surface modification, friction stir processing, and micro-arc oxidation, along with their impact on the antimicrobial properties of magnesium-based materials. This paper reviews the latest research progress on improving the antibacterial properties of magnesium alloys through alloying and introduces the antibacterial effects of mainstream magnesium alloys and also elaborates on the antibacterial mechanism of magnesium alloy materials. It is expected to provide more basis and insights for the design of biodegradable magnesium alloys with antibacterial properties, thereby promoting their development and clinical application.</p> ]]></content:encoded> <dc:title>Antibacterial Pure Magnesium and Magnesium Alloys for Biomedical Materials&amp;amp;mdash;A Review</dc:title> <dc:creator>Qingfeng Song</dc:creator> <dc:creator>Lingzhi Yang</dc:creator> <dc:creator>Fang Yi</dc:creator> <dc:creator>Chao Chen</dc:creator> <dc:creator>Jing Guo</dc:creator> <dc:creator>Zihua Qi</dc:creator> <dc:creator>Yihan Song</dc:creator> <dc:identifier>doi: 10.3390/cryst14110939</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-30</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-30</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Review</prism:section> <prism:startingPage>939</prism:startingPage> <prism:doi>10.3390/cryst14110939</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/939</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/938"> <title>Crystals, Vol. 14, Pages 938: Novel Crystalline Salts of 4-Piperidyl- and 4-Pyridylmethylamines Prepared by Catalytic Hydrogenation of 4-Pyridinecarbonitrile: Crystallographic Unit Cells Based on Powder XRD Patterns by Using the DASH Program Package</title> <link>https://www.mdpi.com/2073-4352/14/11/938</link> <description>Structures of some hydrogenated products and intermediates, prepared by a heterogeneous Pd/C or Ru/C catalyst starting from 4-pyridinecarbonitrile (4PN), in water and in the presence of an acidic additive (HCl or H2SO4), were confirmed in various salt forms of 4-piperidylmethylamine (4PIPA) and 4-pyridylmethylamine (4PA). Crystallographic unit cell structure of the completely hydrogenated product salts (4PIPA&amp;amp;middot;H2SO4 and 4PIPA&amp;amp;middot;2HCl) showed a common double-protonated [4PIPA+2H]2+ divalent cation structure, also proved by FT-IR, and that of the 4PA&amp;amp;middot;H2SO4 intermediate salt was also indexed and modeled by means of powder X-ray diffraction, applying the DASH 4.0 software package and crystal coordinates coming from former single-crystal X-ray structure determination. Formations of the anhydrous and hydrated forms of 4PA&amp;amp;middot;0.5H2SO4&amp;amp;middot;xH2O (x = 0 or x = 0.5, hemisulfates) were also studied by powder XRD and FT-IR spectroscopy for comparing these crystal structures.</description> <pubDate>2024-10-29</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 938: Novel Crystalline Salts of 4-Piperidyl- and 4-Pyridylmethylamines Prepared by Catalytic Hydrogenation of 4-Pyridinecarbonitrile: Crystallographic Unit Cells Based on Powder XRD Patterns by Using the DASH Program Package</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/938">doi: 10.3390/cryst14110938</a></p> <p>Authors: J谩nos Madar谩sz L谩szl贸 Heged疟s </p> <p>Structures of some hydrogenated products and intermediates, prepared by a heterogeneous Pd/C or Ru/C catalyst starting from 4-pyridinecarbonitrile (4PN), in water and in the presence of an acidic additive (HCl or H2SO4), were confirmed in various salt forms of 4-piperidylmethylamine (4PIPA) and 4-pyridylmethylamine (4PA). Crystallographic unit cell structure of the completely hydrogenated product salts (4PIPA&amp;amp;middot;H2SO4 and 4PIPA&amp;amp;middot;2HCl) showed a common double-protonated [4PIPA+2H]2+ divalent cation structure, also proved by FT-IR, and that of the 4PA&amp;amp;middot;H2SO4 intermediate salt was also indexed and modeled by means of powder X-ray diffraction, applying the DASH 4.0 software package and crystal coordinates coming from former single-crystal X-ray structure determination. Formations of the anhydrous and hydrated forms of 4PA&amp;amp;middot;0.5H2SO4&amp;amp;middot;xH2O (x = 0 or x = 0.5, hemisulfates) were also studied by powder XRD and FT-IR spectroscopy for comparing these crystal structures.</p> ]]></content:encoded> <dc:title>Novel Crystalline Salts of 4-Piperidyl- and 4-Pyridylmethylamines Prepared by Catalytic Hydrogenation of 4-Pyridinecarbonitrile: Crystallographic Unit Cells Based on Powder XRD Patterns by Using the DASH Program Package</dc:title> <dc:creator>J谩nos Madar谩sz</dc:creator> <dc:creator>L谩szl贸 Heged疟s</dc:creator> <dc:identifier>doi: 10.3390/cryst14110938</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-29</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-29</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>938</prism:startingPage> <prism:doi>10.3390/cryst14110938</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/938</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/937"> <title>Crystals, Vol. 14, Pages 937: Perovskite Quantum Dot/Zinc Oxide Composite Films for Enhanced Luminance</title> <link>https://www.mdpi.com/2073-4352/14/11/937</link> <description>We conducted experiments utilizing the scattering effect of zinc oxide (ZnO) to enhance the photoluminescence (PL) intensity of cesium lead bromide (CsPbBr3) perovskite quantum dots (QDs). This study involved investigating the method for creating a CsPbBr3 and ZnO mixture and determining the optimal mixing ratio. A mixture dispersion of CsPbBr3 and ZnO, prepared at a 1:0.015 weight ratio through shaking, was fabricated into a film using the spin coating method. The PL intensity of this film showed a relative increase of 20% compared to the original CsPbBr3 QD film without ZnO. The scattering effect of ZnO was confirmed through ultraviolet-visible (UV-Vis) absorption and transient PL experiments, and a long-delayed exciton lifetime was observed in the optimized mixture dispersion thin film. The morphology of the fabricated film was characterized using field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), and atomic force microscopy (AFM). For the CsPbBr3-ZnO mixture (1:0.0015) film, crystal domains of approximately 10 nm were observed using TEM. Through AFM analysis, an excellent film roughness of 4.6 nm was observed, further confirming the potential of perovskite QD/ZnO composite films as promising materials for enhanced photoconversion intensity. In future studies, applying this method to other perovskite materials and metal oxides for the optimization of photoconversion composite materials is expected to enable the fabrication of highly efficient perovskite QD/metal oxide composite films.</description> <pubDate>2024-10-29</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 937: Perovskite Quantum Dot/Zinc Oxide Composite Films for Enhanced Luminance</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/937">doi: 10.3390/cryst14110937</a></p> <p>Authors: Nikita Khairnar Hyukmin Kwon Sunwoo Park Sangwook Park Hayoon Lee Jongwook Park </p> <p>We conducted experiments utilizing the scattering effect of zinc oxide (ZnO) to enhance the photoluminescence (PL) intensity of cesium lead bromide (CsPbBr3) perovskite quantum dots (QDs). This study involved investigating the method for creating a CsPbBr3 and ZnO mixture and determining the optimal mixing ratio. A mixture dispersion of CsPbBr3 and ZnO, prepared at a 1:0.015 weight ratio through shaking, was fabricated into a film using the spin coating method. The PL intensity of this film showed a relative increase of 20% compared to the original CsPbBr3 QD film without ZnO. The scattering effect of ZnO was confirmed through ultraviolet-visible (UV-Vis) absorption and transient PL experiments, and a long-delayed exciton lifetime was observed in the optimized mixture dispersion thin film. The morphology of the fabricated film was characterized using field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), and atomic force microscopy (AFM). For the CsPbBr3-ZnO mixture (1:0.0015) film, crystal domains of approximately 10 nm were observed using TEM. Through AFM analysis, an excellent film roughness of 4.6 nm was observed, further confirming the potential of perovskite QD/ZnO composite films as promising materials for enhanced photoconversion intensity. In future studies, applying this method to other perovskite materials and metal oxides for the optimization of photoconversion composite materials is expected to enable the fabrication of highly efficient perovskite QD/metal oxide composite films.</p> ]]></content:encoded> <dc:title>Perovskite Quantum Dot/Zinc Oxide Composite Films for Enhanced Luminance</dc:title> <dc:creator>Nikita Khairnar</dc:creator> <dc:creator>Hyukmin Kwon</dc:creator> <dc:creator>Sunwoo Park</dc:creator> <dc:creator>Sangwook Park</dc:creator> <dc:creator>Hayoon Lee</dc:creator> <dc:creator>Jongwook Park</dc:creator> <dc:identifier>doi: 10.3390/cryst14110937</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-29</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-29</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>937</prism:startingPage> <prism:doi>10.3390/cryst14110937</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/937</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/936"> <title>Crystals, Vol. 14, Pages 936: Development of Additively Manufactured Embedded Ceramic Temperature Sensors via Vat Photopolymerization</title> <link>https://www.mdpi.com/2073-4352/14/11/936</link> <description>Current additive manufacturing (AM) techniques and methods, such as liquid-crystal display (LCD) vat photopolymerization, offer a wide variety of surface-sensing solutions, but customizable internal sensing is both scarce in presence and narrow in scope. In this work, a fabrication process for novel customizable embedded ceramic temperature sensors is investigated. The fabrication techniques and materials are evaluated, followed by extensive characterization via spectral analysis and thermomechanical testing. The findings indicate that LCD-manufactured ceramic sensors exhibit promising sensing properties, including strong linear thermal sensitivity of 0.23% per &amp;amp;deg;C, with an R2 of at least 0.97, and mechanical strength, with a hardness of 570 HV, making them suitable for adverse environmental conditions. This research not only advances the field of AM for sensor development but also highlights the potential of LCD technology in rapidly producing reliable and efficient ceramic temperature sensors.</description> <pubDate>2024-10-29</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 936: Development of Additively Manufactured Embedded Ceramic Temperature Sensors via Vat Photopolymerization</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/936">doi: 10.3390/cryst14110936</a></p> <p>Authors: Nicholas Reed Rishikesh Srinivasaraghavan Govindarajan Sheridan Perry Kayann Coote Daewon Kim </p> <p>Current additive manufacturing (AM) techniques and methods, such as liquid-crystal display (LCD) vat photopolymerization, offer a wide variety of surface-sensing solutions, but customizable internal sensing is both scarce in presence and narrow in scope. In this work, a fabrication process for novel customizable embedded ceramic temperature sensors is investigated. The fabrication techniques and materials are evaluated, followed by extensive characterization via spectral analysis and thermomechanical testing. The findings indicate that LCD-manufactured ceramic sensors exhibit promising sensing properties, including strong linear thermal sensitivity of 0.23% per &amp;amp;deg;C, with an R2 of at least 0.97, and mechanical strength, with a hardness of 570 HV, making them suitable for adverse environmental conditions. This research not only advances the field of AM for sensor development but also highlights the potential of LCD technology in rapidly producing reliable and efficient ceramic temperature sensors.</p> ]]></content:encoded> <dc:title>Development of Additively Manufactured Embedded Ceramic Temperature Sensors via Vat Photopolymerization</dc:title> <dc:creator>Nicholas Reed</dc:creator> <dc:creator>Rishikesh Srinivasaraghavan Govindarajan</dc:creator> <dc:creator>Sheridan Perry</dc:creator> <dc:creator>Kayann Coote</dc:creator> <dc:creator>Daewon Kim</dc:creator> <dc:identifier>doi: 10.3390/cryst14110936</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-29</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-29</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>936</prism:startingPage> <prism:doi>10.3390/cryst14110936</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/936</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/934"> <title>Crystals, Vol. 14, Pages 934: Progress and Prospect of Liquid Crystal Droplets</title> <link>https://www.mdpi.com/2073-4352/14/11/934</link> <description>Liquid crystal (LC) droplets are highly attractive for applications in privacy windows, optical switches, optical vortices, optical microresonators, microlenses, and biosensors due to their ease of fabrication and easy alignment at surfaces. This review presents the latest advancements in LC droplets, which have nematic, chiral nematic, and twist&amp;amp;ndash;bend nematic and ferroelectric nematic phases, or blue phases. Finally, it discusses the challenges and opportunities for applications based on LC droplets. The main challenges encompass the precise control of internal structures and defects to meet diverse application requirements, enhancing stability and durability across various environments, reducing large-scale production costs to improve commercial feasibility, increasing response speeds to external stimuli to adapt to rapidly changing scenarios, and developing tunable LC droplets to achieve broader functionalities.</description> <pubDate>2024-10-29</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 934: Progress and Prospect of Liquid Crystal Droplets</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/934">doi: 10.3390/cryst14110934</a></p> <p>Authors: Le Zhou Tingjun Zhong Huihui Wang Ke Xu Pouya Nosratkhah Kristiaan Neyts </p> <p>Liquid crystal (LC) droplets are highly attractive for applications in privacy windows, optical switches, optical vortices, optical microresonators, microlenses, and biosensors due to their ease of fabrication and easy alignment at surfaces. This review presents the latest advancements in LC droplets, which have nematic, chiral nematic, and twist&amp;amp;ndash;bend nematic and ferroelectric nematic phases, or blue phases. Finally, it discusses the challenges and opportunities for applications based on LC droplets. The main challenges encompass the precise control of internal structures and defects to meet diverse application requirements, enhancing stability and durability across various environments, reducing large-scale production costs to improve commercial feasibility, increasing response speeds to external stimuli to adapt to rapidly changing scenarios, and developing tunable LC droplets to achieve broader functionalities.</p> ]]></content:encoded> <dc:title>Progress and Prospect of Liquid Crystal Droplets</dc:title> <dc:creator>Le Zhou</dc:creator> <dc:creator>Tingjun Zhong</dc:creator> <dc:creator>Huihui Wang</dc:creator> <dc:creator>Ke Xu</dc:creator> <dc:creator>Pouya Nosratkhah</dc:creator> <dc:creator>Kristiaan Neyts</dc:creator> <dc:identifier>doi: 10.3390/cryst14110934</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-29</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-29</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Review</prism:section> <prism:startingPage>934</prism:startingPage> <prism:doi>10.3390/cryst14110934</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/934</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/935"> <title>Crystals, Vol. 14, Pages 935: Characterization of Crystal Properties and Defects in CdZnTe Radiation Detectors</title> <link>https://www.mdpi.com/2073-4352/14/11/935</link> <description>CdZnTe-based detectors are highly valued because of their high spectral resolution, which is an essential feature for nuclear medical imaging. However, this resolution is compromised when there are substantial defects in the CdZnTe crystals. In this study, we present a learning-based approach to determine the spatially dependent bulk properties and defects in semiconductor detectors. This characterization allows us to mitigate and compensate for the undesired effects caused by crystal impurities. We tested our model with computer-generated noise-free input data, where it showed excellent accuracy, achieving an average RMSE of 0.43% between the predicted and the ground truth crystal properties. In addition, a sensitivity analysis was performed to determine the effect of noisy data on the accuracy of the model.</description> <pubDate>2024-10-29</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 935: Characterization of Crystal Properties and Defects in CdZnTe Radiation Detectors</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/935">doi: 10.3390/cryst14110935</a></p> <p>Authors: Manuel Ballester Jaromir Kaspar Francesc Massan茅s Srutarshi Banerjee Alexander Hans Vija Aggelos K. Katsaggelos </p> <p>CdZnTe-based detectors are highly valued because of their high spectral resolution, which is an essential feature for nuclear medical imaging. However, this resolution is compromised when there are substantial defects in the CdZnTe crystals. In this study, we present a learning-based approach to determine the spatially dependent bulk properties and defects in semiconductor detectors. This characterization allows us to mitigate and compensate for the undesired effects caused by crystal impurities. We tested our model with computer-generated noise-free input data, where it showed excellent accuracy, achieving an average RMSE of 0.43% between the predicted and the ground truth crystal properties. In addition, a sensitivity analysis was performed to determine the effect of noisy data on the accuracy of the model.</p> ]]></content:encoded> <dc:title>Characterization of Crystal Properties and Defects in CdZnTe Radiation Detectors</dc:title> <dc:creator>Manuel Ballester</dc:creator> <dc:creator>Jaromir Kaspar</dc:creator> <dc:creator>Francesc Massan茅s</dc:creator> <dc:creator>Srutarshi Banerjee</dc:creator> <dc:creator>Alexander Hans Vija</dc:creator> <dc:creator>Aggelos K. Katsaggelos</dc:creator> <dc:identifier>doi: 10.3390/cryst14110935</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-29</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-29</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Communication</prism:section> <prism:startingPage>935</prism:startingPage> <prism:doi>10.3390/cryst14110935</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/935</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/933"> <title>Crystals, Vol. 14, Pages 933: Synthesis and Properties of a Red Na5Zn2Gd1&amp;minus;x(MoO4)6: xEu3+ Phosphor</title> <link>https://www.mdpi.com/2073-4352/14/11/933</link> <description>Novel Eu3+-doped Na5Zn2Gd(MoO4)6 triple molybdate phosphors were fabricated by the sol-gel method. The structure, morphology, and luminescent properties have been characterized by X-ray diffraction (XRD), thermogravimetric differential thermal analysis (TG-DTA), scanning electron microscopy (SEM), FTIR spectroscopy, and luminescence spectroscopy. The results indicated that the synthesized Na5Zn2Gd1&amp;amp;minus;x(MoO4)6: xEu3+ phosphor consisted of a pure phase with monoclinic structure. Under excitation at 465 nm, the Na5Zn2Gd1&amp;amp;minus;x(MoO4)6: xEu3+ phosphor exhibits an intensive red emission band around 610 nm corresponding to the transition of 5D0&amp;amp;rarr;7F2 which is much higher than that 5D0&amp;amp;rarr;7F1 at 594 nm, which was appropriate for a blue LED. According to the influence of the synthesis conditions, the phosphors showed the highest emission intensity when the doping concentration of Eu3+ was 25 mol.% and the molar ratio of citric acid to metal ions was 2:1. Na5Zn2Gd0.75(MoO4)6: 0.25 Eu3+ with the color coordinates (x = 0.658, y = 0.341) is a more stable red phosphor for blue-based white LEDs than the commercial Y2O2S: Eu3+ red phosphor (0.48, 0.50) due to its being closer to the NTSC standard values (0.670, 0.330).</description> <pubDate>2024-10-29</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 933: Synthesis and Properties of a Red Na5Zn2Gd1&amp;minus;x(MoO4)6: xEu3+ Phosphor</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/933">doi: 10.3390/cryst14110933</a></p> <p>Authors: Wa Gao Ren Sha Jun Ai </p> <p>Novel Eu3+-doped Na5Zn2Gd(MoO4)6 triple molybdate phosphors were fabricated by the sol-gel method. The structure, morphology, and luminescent properties have been characterized by X-ray diffraction (XRD), thermogravimetric differential thermal analysis (TG-DTA), scanning electron microscopy (SEM), FTIR spectroscopy, and luminescence spectroscopy. The results indicated that the synthesized Na5Zn2Gd1&amp;amp;minus;x(MoO4)6: xEu3+ phosphor consisted of a pure phase with monoclinic structure. Under excitation at 465 nm, the Na5Zn2Gd1&amp;amp;minus;x(MoO4)6: xEu3+ phosphor exhibits an intensive red emission band around 610 nm corresponding to the transition of 5D0&amp;amp;rarr;7F2 which is much higher than that 5D0&amp;amp;rarr;7F1 at 594 nm, which was appropriate for a blue LED. According to the influence of the synthesis conditions, the phosphors showed the highest emission intensity when the doping concentration of Eu3+ was 25 mol.% and the molar ratio of citric acid to metal ions was 2:1. Na5Zn2Gd0.75(MoO4)6: 0.25 Eu3+ with the color coordinates (x = 0.658, y = 0.341) is a more stable red phosphor for blue-based white LEDs than the commercial Y2O2S: Eu3+ red phosphor (0.48, 0.50) due to its being closer to the NTSC standard values (0.670, 0.330).</p> ]]></content:encoded> <dc:title>Synthesis and Properties of a Red Na5Zn2Gd1&amp;amp;minus;x(MoO4)6: xEu3+ Phosphor</dc:title> <dc:creator>Wa Gao</dc:creator> <dc:creator>Ren Sha</dc:creator> <dc:creator>Jun Ai</dc:creator> <dc:identifier>doi: 10.3390/cryst14110933</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-29</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-29</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>933</prism:startingPage> <prism:doi>10.3390/cryst14110933</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/933</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/932"> <title>Crystals, Vol. 14, Pages 932: Solving Ambiguity in EBSD Indexing of Long-Period Stacking Ordered (LPSO) Phase in Mg with Template Matching Approach</title> <link>https://www.mdpi.com/2073-4352/14/11/932</link> <description>Magnesium (Mg) alloys with long-period stacking ordered (LPSO) phases are receiving increasing interest because of their excellent mechanical performance. The close similarity in atomic stacking sequences between different LPSO polytypes and Mg lattice often leads to ambiguous indexing in electron backscatter diffraction (EBSD), a commonly used material characterization technique. Instead of the Hough transformation approach used in commercial software, an alternative indexing approach, which can catch subtle differences by matching experimental patterns with simulated ones, is explored in this study. Our results, showing ~94% of mapping data being correctly indexed as the target phase, 14H LPSO, demonstrate the capability of not only resolving the LPSO phases but also distinguishing different LPSO polytypes. This approach offers a valuable, if not unique, solution for the microscale characterization of LPSO phases, enabling precise microstructure tuning to further promote the mechanical properties of Mg alloys.</description> <pubDate>2024-10-28</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 932: Solving Ambiguity in EBSD Indexing of Long-Period Stacking Ordered (LPSO) Phase in Mg with Template Matching Approach</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/932">doi: 10.3390/cryst14110932</a></p> <p>Authors: Yushun Liu Jian Yin Guo-zhen Zhu </p> <p>Magnesium (Mg) alloys with long-period stacking ordered (LPSO) phases are receiving increasing interest because of their excellent mechanical performance. The close similarity in atomic stacking sequences between different LPSO polytypes and Mg lattice often leads to ambiguous indexing in electron backscatter diffraction (EBSD), a commonly used material characterization technique. Instead of the Hough transformation approach used in commercial software, an alternative indexing approach, which can catch subtle differences by matching experimental patterns with simulated ones, is explored in this study. Our results, showing ~94% of mapping data being correctly indexed as the target phase, 14H LPSO, demonstrate the capability of not only resolving the LPSO phases but also distinguishing different LPSO polytypes. This approach offers a valuable, if not unique, solution for the microscale characterization of LPSO phases, enabling precise microstructure tuning to further promote the mechanical properties of Mg alloys.</p> ]]></content:encoded> <dc:title>Solving Ambiguity in EBSD Indexing of Long-Period Stacking Ordered (LPSO) Phase in Mg with Template Matching Approach</dc:title> <dc:creator>Yushun Liu</dc:creator> <dc:creator>Jian Yin</dc:creator> <dc:creator>Guo-zhen Zhu</dc:creator> <dc:identifier>doi: 10.3390/cryst14110932</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-28</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-28</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>932</prism:startingPage> <prism:doi>10.3390/cryst14110932</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/932</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/930"> <title>Crystals, Vol. 14, Pages 930: Development of Machine Learning Atomistic Potential for Molecular Simulation of Hematite&amp;ndash;Water Interfaces</title> <link>https://www.mdpi.com/2073-4352/14/11/930</link> <description>A novel approach for constructing a machine-learned potential energy surface (MLP) from unlabeled training data is presented. Utilizing neural networks augmented with a pool-based active learning sampling method, a potential energy surface (PES) is developed for the accurate modeling of interfaces of hematite iron oxide and water, fitting the much more expensive density functional theory (DFT). Molecular dynamics simulations were performed using this DFT-based PES to characterize the structural and energetic properties of the system. By utilizing the developed machine learning potential (MLP), it was possible to simulate much larger systems for extended periods of time, which will be important for leveraging machine learning potentials as accurate and pragmatic simulation-led molecular design and prototyping tools whilst preserving the ab initio accuracy.</description> <pubDate>2024-10-28</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 930: Development of Machine Learning Atomistic Potential for Molecular Simulation of Hematite&amp;ndash;Water Interfaces</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/930">doi: 10.3390/cryst14110930</a></p> <p>Authors: Mozhdeh Shiranirad Niall J. English </p> <p>A novel approach for constructing a machine-learned potential energy surface (MLP) from unlabeled training data is presented. Utilizing neural networks augmented with a pool-based active learning sampling method, a potential energy surface (PES) is developed for the accurate modeling of interfaces of hematite iron oxide and water, fitting the much more expensive density functional theory (DFT). Molecular dynamics simulations were performed using this DFT-based PES to characterize the structural and energetic properties of the system. By utilizing the developed machine learning potential (MLP), it was possible to simulate much larger systems for extended periods of time, which will be important for leveraging machine learning potentials as accurate and pragmatic simulation-led molecular design and prototyping tools whilst preserving the ab initio accuracy.</p> ]]></content:encoded> <dc:title>Development of Machine Learning Atomistic Potential for Molecular Simulation of Hematite&amp;amp;ndash;Water Interfaces</dc:title> <dc:creator>Mozhdeh Shiranirad</dc:creator> <dc:creator>Niall J. English</dc:creator> <dc:identifier>doi: 10.3390/cryst14110930</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-28</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-28</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>930</prism:startingPage> <prism:doi>10.3390/cryst14110930</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/930</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/931"> <title>Crystals, Vol. 14, Pages 931: Review of Angular-Selective Windows with Guest&amp;ndash;Host Liquid Crystals for Static Window Applications</title> <link>https://www.mdpi.com/2073-4352/14/11/931</link> <description>This review focuses on the development and advancements in angular-selective smart windows, with particular emphasis on static windows utilizing guest&amp;amp;ndash;host liquid crystal (GHLC) systems. Angular-selective windows are designed to adjust their transmittance based on the angle of incident light, offering enhanced energy efficiency and visual comfort in both architectural and automotive applications. By leveraging the anisotropic absorption properties of dichroic dyes, GHLC-based windows can selectively block oblique sunlight while preserving clear visibility from normal viewing angles. Various liquid crystal (LC) alignment configurations, including vertically aligned, homogeneously aligned, hybrid aligned, uniformly lying helix, and twisted aligned LC cells, have been investigated to optimize light control for different installation angles, such as for automotive windshields and building windows. These advancements have demonstrated significant improvements in energy conservation and occupant comfort by reducing cooling demands and regulating sunlight penetration. This review summarizes key findings from recent studies, addresses the limitations of current technologies, and outlines potential future directions for further advancements in smart window technology.</description> <pubDate>2024-10-28</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 931: Review of Angular-Selective Windows with Guest&amp;ndash;Host Liquid Crystals for Static Window Applications</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/931">doi: 10.3390/cryst14110931</a></p> <p>Authors: Chan-Heon An Seung-Won Oh </p> <p>This review focuses on the development and advancements in angular-selective smart windows, with particular emphasis on static windows utilizing guest&amp;amp;ndash;host liquid crystal (GHLC) systems. Angular-selective windows are designed to adjust their transmittance based on the angle of incident light, offering enhanced energy efficiency and visual comfort in both architectural and automotive applications. By leveraging the anisotropic absorption properties of dichroic dyes, GHLC-based windows can selectively block oblique sunlight while preserving clear visibility from normal viewing angles. Various liquid crystal (LC) alignment configurations, including vertically aligned, homogeneously aligned, hybrid aligned, uniformly lying helix, and twisted aligned LC cells, have been investigated to optimize light control for different installation angles, such as for automotive windshields and building windows. These advancements have demonstrated significant improvements in energy conservation and occupant comfort by reducing cooling demands and regulating sunlight penetration. This review summarizes key findings from recent studies, addresses the limitations of current technologies, and outlines potential future directions for further advancements in smart window technology.</p> ]]></content:encoded> <dc:title>Review of Angular-Selective Windows with Guest&amp;amp;ndash;Host Liquid Crystals for Static Window Applications</dc:title> <dc:creator>Chan-Heon An</dc:creator> <dc:creator>Seung-Won Oh</dc:creator> <dc:identifier>doi: 10.3390/cryst14110931</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-28</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-28</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Review</prism:section> <prism:startingPage>931</prism:startingPage> <prism:doi>10.3390/cryst14110931</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/931</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/929"> <title>Crystals, Vol. 14, Pages 929: Phase Evolution, Mechanical, and Electrical Properties of Lightweight Ceramic Prepared Using Scoria at Low Temperature</title> <link>https://www.mdpi.com/2073-4352/14/11/929</link> <description>This study aimed to produce lightweight, eco-friendly ceramic materials with superior properties using natural raw materials and low processing temperatures. Five ceramic samples were fabricated using red clay and varying contents of volcanic scoria (10%, 20%, 30%, 40%, and 50%) through sintering at 950 &amp;amp;deg;C for 4 h. The crystalline phases, electrical properties, porosity, and mechanical strength of all the ceramic specimens were comprehensively evaluated. It was determined that the chemical composition of the raw materials and the resulting phases significantly influenced these various attributes. The XRD analysis revealed that the ceramic samples primarily consisted of the crystalline phases gehlenite, low quartz, and anorthite, along with the minor wollastonite and hematite phases. As the scoria content was increased, the MgO and Fe2O3 concentrations also increased, leading to a reduction in dielectric constant, dielectric loss, and electric conductivity. Moreover, the porosity of samples decreases from S10 to S50 due to the increase in the percentage of scoria and this reduction in porosity led to increased bending strength. The findings of this study suggest that volcanic scoria can serve as a viable eco-friendly raw material to produce lightweight ceramics with excellent electrical and mechanical properties, presenting cost-effective and energy-efficient solutions for various applications.</description> <pubDate>2024-10-27</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 929: Phase Evolution, Mechanical, and Electrical Properties of Lightweight Ceramic Prepared Using Scoria at Low Temperature</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/929">doi: 10.3390/cryst14110929</a></p> <p>Authors: Shoroog Alraddadi Hasan Assaedi </p> <p>This study aimed to produce lightweight, eco-friendly ceramic materials with superior properties using natural raw materials and low processing temperatures. Five ceramic samples were fabricated using red clay and varying contents of volcanic scoria (10%, 20%, 30%, 40%, and 50%) through sintering at 950 &amp;amp;deg;C for 4 h. The crystalline phases, electrical properties, porosity, and mechanical strength of all the ceramic specimens were comprehensively evaluated. It was determined that the chemical composition of the raw materials and the resulting phases significantly influenced these various attributes. The XRD analysis revealed that the ceramic samples primarily consisted of the crystalline phases gehlenite, low quartz, and anorthite, along with the minor wollastonite and hematite phases. As the scoria content was increased, the MgO and Fe2O3 concentrations also increased, leading to a reduction in dielectric constant, dielectric loss, and electric conductivity. Moreover, the porosity of samples decreases from S10 to S50 due to the increase in the percentage of scoria and this reduction in porosity led to increased bending strength. The findings of this study suggest that volcanic scoria can serve as a viable eco-friendly raw material to produce lightweight ceramics with excellent electrical and mechanical properties, presenting cost-effective and energy-efficient solutions for various applications.</p> ]]></content:encoded> <dc:title>Phase Evolution, Mechanical, and Electrical Properties of Lightweight Ceramic Prepared Using Scoria at Low Temperature</dc:title> <dc:creator>Shoroog Alraddadi</dc:creator> <dc:creator>Hasan Assaedi</dc:creator> <dc:identifier>doi: 10.3390/cryst14110929</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-27</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-27</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>929</prism:startingPage> <prism:doi>10.3390/cryst14110929</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/929</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/928"> <title>Crystals, Vol. 14, Pages 928: Synthesis and Characterization of TiO2 Nanotubes for High-Performance Gas Sensor Applications</title> <link>https://www.mdpi.com/2073-4352/14/11/928</link> <description>In this study, we investigated the fabrication, properties, and sensing applications of TiO2 nanotubes. A pure titanium metal sheet was used to demonstrate how titanium dioxide nanotubes can be used for gas-sensing applications through the electrochemical anodization method. Subsequently, X-ray diffraction indicated the crystallization of the titanium dioxide layer. Scanning electron microscopy and transmission electron microscopy then revealed the average diameter of the TiO2 nanotubes to be approximately 100 nm, with tube lengths ranging between 3 and 9 &amp;amp;micro;m and the thickness of the nanotube walls being about 25 nm. This type of TiO2 nanotube was found to be suitable for NO2 gas sensor applications. With an oxidation time of 15 min, its detection of NO2 gas showed a good result at 250 &amp;amp;deg;C, especially when exposed to a NO2 gas flow of 100 ppm, where a maximum NO2 gas response of 96% was obtained. The NO2 sensors based on the TiO2 nanotube arrays all exhibited a high level of stability, good reproducibility, and high sensitivity.</description> <pubDate>2024-10-27</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 928: Synthesis and Characterization of TiO2 Nanotubes for High-Performance Gas Sensor Applications</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/928">doi: 10.3390/cryst14110928</a></p> <p>Authors: Belgacem Bouktif Marzaini Rashid Anouar Hajjaji Karim Choubani Nashmi H. Alrasheedi Borhen Louhichi Wissem Dimassi Mohamed Ben Rabha </p> <p>In this study, we investigated the fabrication, properties, and sensing applications of TiO2 nanotubes. A pure titanium metal sheet was used to demonstrate how titanium dioxide nanotubes can be used for gas-sensing applications through the electrochemical anodization method. Subsequently, X-ray diffraction indicated the crystallization of the titanium dioxide layer. Scanning electron microscopy and transmission electron microscopy then revealed the average diameter of the TiO2 nanotubes to be approximately 100 nm, with tube lengths ranging between 3 and 9 &amp;amp;micro;m and the thickness of the nanotube walls being about 25 nm. This type of TiO2 nanotube was found to be suitable for NO2 gas sensor applications. With an oxidation time of 15 min, its detection of NO2 gas showed a good result at 250 &amp;amp;deg;C, especially when exposed to a NO2 gas flow of 100 ppm, where a maximum NO2 gas response of 96% was obtained. The NO2 sensors based on the TiO2 nanotube arrays all exhibited a high level of stability, good reproducibility, and high sensitivity.</p> ]]></content:encoded> <dc:title>Synthesis and Characterization of TiO2 Nanotubes for High-Performance Gas Sensor Applications</dc:title> <dc:creator>Belgacem Bouktif</dc:creator> <dc:creator>Marzaini Rashid</dc:creator> <dc:creator>Anouar Hajjaji</dc:creator> <dc:creator>Karim Choubani</dc:creator> <dc:creator>Nashmi H. Alrasheedi</dc:creator> <dc:creator>Borhen Louhichi</dc:creator> <dc:creator>Wissem Dimassi</dc:creator> <dc:creator>Mohamed Ben Rabha</dc:creator> <dc:identifier>doi: 10.3390/cryst14110928</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-27</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-27</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>928</prism:startingPage> <prism:doi>10.3390/cryst14110928</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/928</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/927"> <title>Crystals, Vol. 14, Pages 927: Optimization of Magnetic Field-Assisted Laser Cladding Based on Hierarchical Analysis and Gray Correlation Method</title> <link>https://www.mdpi.com/2073-4352/14/11/927</link> <description>Process parameters directly affect the quality of laser cladding. In this study, magnetic field-assisted laser cladding experiments were carried out on the surface of 300 M ultra-high-strength steel by setting laser energy density, magnetic field strength, and frequency as processing parameters. The optimization of laser cladding process parameters was investigated based on evaluating the quality of the laser cladding layer through hierarchical analysis and gray correlation analysis. Based on orthogonal test data, the correlation coefficients of the process parameters with the single objective function and the correlation degree of the multi-objective function were calculated by using the gray theory. Then the comprehensive objective optimization was carried out according to the gray correlation degree. The optimization problem with multiple process objectives was transformed into a single gray correlation degree optimization method to realize the optimization of process objectives and obtain the optimal combination of process parameters. The validation experiments indicate that the quality of the laser cladding layer can be greatly improved by employing optimal process parameters. The optimized laser cladding layer shows a reduced microstructure size and enhanced wear resistance, indicating the effectiveness of the optimization approach.</description> <pubDate>2024-10-26</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 927: Optimization of Magnetic Field-Assisted Laser Cladding Based on Hierarchical Analysis and Gray Correlation Method</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/927">doi: 10.3390/cryst14110927</a></p> <p>Authors: Long Jiang Kang Qi Haitao Zhang Youliang Yu Qinpeng Sun </p> <p>Process parameters directly affect the quality of laser cladding. In this study, magnetic field-assisted laser cladding experiments were carried out on the surface of 300 M ultra-high-strength steel by setting laser energy density, magnetic field strength, and frequency as processing parameters. The optimization of laser cladding process parameters was investigated based on evaluating the quality of the laser cladding layer through hierarchical analysis and gray correlation analysis. Based on orthogonal test data, the correlation coefficients of the process parameters with the single objective function and the correlation degree of the multi-objective function were calculated by using the gray theory. Then the comprehensive objective optimization was carried out according to the gray correlation degree. The optimization problem with multiple process objectives was transformed into a single gray correlation degree optimization method to realize the optimization of process objectives and obtain the optimal combination of process parameters. The validation experiments indicate that the quality of the laser cladding layer can be greatly improved by employing optimal process parameters. The optimized laser cladding layer shows a reduced microstructure size and enhanced wear resistance, indicating the effectiveness of the optimization approach.</p> ]]></content:encoded> <dc:title>Optimization of Magnetic Field-Assisted Laser Cladding Based on Hierarchical Analysis and Gray Correlation Method</dc:title> <dc:creator>Long Jiang</dc:creator> <dc:creator>Kang Qi</dc:creator> <dc:creator>Haitao Zhang</dc:creator> <dc:creator>Youliang Yu</dc:creator> <dc:creator>Qinpeng Sun</dc:creator> <dc:identifier>doi: 10.3390/cryst14110927</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-26</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-26</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>927</prism:startingPage> <prism:doi>10.3390/cryst14110927</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/927</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/926"> <title>Crystals, Vol. 14, Pages 926: Effect of Heat Input on Tin Bronze-Induced Intergranular Cracks During Arc Cladding Process</title> <link>https://www.mdpi.com/2073-4352/14/11/926</link> <description>This work aimed to figure out the effect of heat input on the characteristics, formation, and elimination of liquid tin bronze-induced intergranular cracks in steel sheets with a thickness of 2 mm. Tin bronze cladding layers were prepared using an arc cladding technique on the steel. A statistical method was adopted to analyze the severity of intergranular cracks. Microstructures and intergranular cracks were characterized by SEM and TEM. The tensile experiments were carried out using an electronic universal testing machine. For the bare steel sheets, the intergranular cracks originated from the cladding layer and propagated into the interior of the steel along the grain boundaries. The intergranular cracks could evolve into macrocracks and lead to the failure of steel. With the increase in heat input, the maximum temperature, maximum stress, and contact time between steel and liquid tin bronze increased. The severity of intergranular cracks was also increased, and the longest crack reached 520 &amp;amp;mu;m. The mechanical properties of the steel sheets decreased with the increase in heat input. For nickel-plated steel sheets, intergranular cracks were eliminated under low heat input, and a transition layer with a nickel content of 12.32 wt.% was generated. The intergranular cracks generated under high heat input and nickel content in the transition layer were only 1.34 wt.%. The strength of the nickel-plated steel also decreased drastically, and the ductility was almost zero.</description> <pubDate>2024-10-26</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 926: Effect of Heat Input on Tin Bronze-Induced Intergranular Cracks During Arc Cladding Process</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/926">doi: 10.3390/cryst14110926</a></p> <p>Authors: Chen Chen Wenjing Li Fuqiang Tu Tao Qin </p> <p>This work aimed to figure out the effect of heat input on the characteristics, formation, and elimination of liquid tin bronze-induced intergranular cracks in steel sheets with a thickness of 2 mm. Tin bronze cladding layers were prepared using an arc cladding technique on the steel. A statistical method was adopted to analyze the severity of intergranular cracks. Microstructures and intergranular cracks were characterized by SEM and TEM. The tensile experiments were carried out using an electronic universal testing machine. For the bare steel sheets, the intergranular cracks originated from the cladding layer and propagated into the interior of the steel along the grain boundaries. The intergranular cracks could evolve into macrocracks and lead to the failure of steel. With the increase in heat input, the maximum temperature, maximum stress, and contact time between steel and liquid tin bronze increased. The severity of intergranular cracks was also increased, and the longest crack reached 520 &amp;amp;mu;m. The mechanical properties of the steel sheets decreased with the increase in heat input. For nickel-plated steel sheets, intergranular cracks were eliminated under low heat input, and a transition layer with a nickel content of 12.32 wt.% was generated. The intergranular cracks generated under high heat input and nickel content in the transition layer were only 1.34 wt.%. The strength of the nickel-plated steel also decreased drastically, and the ductility was almost zero.</p> ]]></content:encoded> <dc:title>Effect of Heat Input on Tin Bronze-Induced Intergranular Cracks During Arc Cladding Process</dc:title> <dc:creator>Chen Chen</dc:creator> <dc:creator>Wenjing Li</dc:creator> <dc:creator>Fuqiang Tu</dc:creator> <dc:creator>Tao Qin</dc:creator> <dc:identifier>doi: 10.3390/cryst14110926</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-26</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-26</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>926</prism:startingPage> <prism:doi>10.3390/cryst14110926</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/926</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/925"> <title>Crystals, Vol. 14, Pages 925: Enhanced Performance of Fluidic Phononic Crystal Sensors Using Different Quasi-Periodic Crystals</title> <link>https://www.mdpi.com/2073-4352/14/11/925</link> <description>In this paper, we introduce a comprehensive theoretical study to obtain an optimal highly sensitive fluidic sensor based on the one-dimensional phononic crystal (PnC). The mainstay of this study strongly depends on the high impedance mismatching due to the irregularity of the considered quasi-periodic structure, which in turn can provide better performance compared to the periodic PnC designs. In this regard, we performed the detection and monitoring of the different concentrations of lead nitrate (Pb(NO3)2) and identified it as being a dangerous aqueous solution. Here, a defect layer was introduced through the designed structure to be filled with the Pb(NO3)2 solution. Therefore, a resonant mode was formed within the transmittance spectrum of the considered structure, which in turn shifted due to the changes in the concentration of the detected analyte. The numerical findings demonstrate the role of the different sequences such as Fibonacci, Octonacci, Thue&amp;amp;ndash;Morse, and double period on the performance of the designed PhC detector. Meanwhile, the findings of this study show that the double-period quasi-periodic sequence provides the best performance with a sensitivity of 502.6 Hz/ppm, a damping rate of 5.9&amp;amp;times;10&amp;amp;minus;5, a maximum quality factor of 8463.5, and a detection limit of 2.45.</description> <pubDate>2024-10-26</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 925: Enhanced Performance of Fluidic Phononic Crystal Sensors Using Different Quasi-Periodic Crystals</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/925">doi: 10.3390/cryst14110925</a></p> <p>Authors: Ahmed G. Sayed Ali Hajjiah Mehdi Tlija Stefano Bellucci Mostafa R. Abukhadra Hussein A. Elsayed Ahmed Mehaney </p> <p>In this paper, we introduce a comprehensive theoretical study to obtain an optimal highly sensitive fluidic sensor based on the one-dimensional phononic crystal (PnC). The mainstay of this study strongly depends on the high impedance mismatching due to the irregularity of the considered quasi-periodic structure, which in turn can provide better performance compared to the periodic PnC designs. In this regard, we performed the detection and monitoring of the different concentrations of lead nitrate (Pb(NO3)2) and identified it as being a dangerous aqueous solution. Here, a defect layer was introduced through the designed structure to be filled with the Pb(NO3)2 solution. Therefore, a resonant mode was formed within the transmittance spectrum of the considered structure, which in turn shifted due to the changes in the concentration of the detected analyte. The numerical findings demonstrate the role of the different sequences such as Fibonacci, Octonacci, Thue&amp;amp;ndash;Morse, and double period on the performance of the designed PhC detector. Meanwhile, the findings of this study show that the double-period quasi-periodic sequence provides the best performance with a sensitivity of 502.6 Hz/ppm, a damping rate of 5.9&amp;amp;times;10&amp;amp;minus;5, a maximum quality factor of 8463.5, and a detection limit of 2.45.</p> ]]></content:encoded> <dc:title>Enhanced Performance of Fluidic Phononic Crystal Sensors Using Different Quasi-Periodic Crystals</dc:title> <dc:creator>Ahmed G. Sayed</dc:creator> <dc:creator>Ali Hajjiah</dc:creator> <dc:creator>Mehdi Tlija</dc:creator> <dc:creator>Stefano Bellucci</dc:creator> <dc:creator>Mostafa R. Abukhadra</dc:creator> <dc:creator>Hussein A. Elsayed</dc:creator> <dc:creator>Ahmed Mehaney</dc:creator> <dc:identifier>doi: 10.3390/cryst14110925</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-26</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-26</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>925</prism:startingPage> <prism:doi>10.3390/cryst14110925</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/925</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/924"> <title>Crystals, Vol. 14, Pages 924: Toughening Mechanism of CaAl12O19 in Red Mud&amp;ndash;Al2O3 Composite Ceramics</title> <link>https://www.mdpi.com/2073-4352/14/11/924</link> <description>The utilization of red mud in the production of ceramic products represents an efficient approach for harnessing red mud resources. Composite ceramics were prepared from Al2O3, red mud, and Cr2O3 by atmospheric pressure sintering, and the phase composition and microscopic morphology of the composite ceramics were investigated by XRD, SEM, and EDS. The flexural strength and fracture toughness of composite ceramics were measured by three-point bending and SENB methods. The results showed that the composite ceramics sintered at 1500 &amp;amp;deg;C with the addition of 1.5 wt.% Cr2O3 had a flexural strength of 297.03 MPa, a hardness of 17.44 GPa, and a densification of 97.75% and fracture toughness of 6.57 MPa&amp;amp;middot;m1/2. The addition of Cr2O3 helps to improve the low strength of red mud composite ceramic samples. The CaAl12O19 phase can form a similar &amp;amp;ldquo;endo-crystalline&amp;amp;rdquo; structure with Al2O3 grains, which changes the fracture mode of the ceramics and thus significantly improves the fracture toughness. The wettability tests conducted on Cu and RM&amp;amp;ndash;Al2O3 composite ceramic materials revealed that the composites exhibited non-wetting behavior towards Cu at elevated temperatures, while no interfacial reactions or elemental diffusion were observed. Composites have higher surface energy than Al2O3 ceramic at high temperatures. The present study provides a crucial foundation for enhancing the comprehensive utilization value of red mud and the application of red mud ceramics in the field of electronic packaging.</description> <pubDate>2024-10-26</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 924: Toughening Mechanism of CaAl12O19 in Red Mud&amp;ndash;Al2O3 Composite Ceramics</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/924">doi: 10.3390/cryst14110924</a></p> <p>Authors: Shiwei Jiang Anmin Li Zhengliang Wang </p> <p>The utilization of red mud in the production of ceramic products represents an efficient approach for harnessing red mud resources. Composite ceramics were prepared from Al2O3, red mud, and Cr2O3 by atmospheric pressure sintering, and the phase composition and microscopic morphology of the composite ceramics were investigated by XRD, SEM, and EDS. The flexural strength and fracture toughness of composite ceramics were measured by three-point bending and SENB methods. The results showed that the composite ceramics sintered at 1500 &amp;amp;deg;C with the addition of 1.5 wt.% Cr2O3 had a flexural strength of 297.03 MPa, a hardness of 17.44 GPa, and a densification of 97.75% and fracture toughness of 6.57 MPa&amp;amp;middot;m1/2. The addition of Cr2O3 helps to improve the low strength of red mud composite ceramic samples. The CaAl12O19 phase can form a similar &amp;amp;ldquo;endo-crystalline&amp;amp;rdquo; structure with Al2O3 grains, which changes the fracture mode of the ceramics and thus significantly improves the fracture toughness. The wettability tests conducted on Cu and RM&amp;amp;ndash;Al2O3 composite ceramic materials revealed that the composites exhibited non-wetting behavior towards Cu at elevated temperatures, while no interfacial reactions or elemental diffusion were observed. Composites have higher surface energy than Al2O3 ceramic at high temperatures. The present study provides a crucial foundation for enhancing the comprehensive utilization value of red mud and the application of red mud ceramics in the field of electronic packaging.</p> ]]></content:encoded> <dc:title>Toughening Mechanism of CaAl12O19 in Red Mud&amp;amp;ndash;Al2O3 Composite Ceramics</dc:title> <dc:creator>Shiwei Jiang</dc:creator> <dc:creator>Anmin Li</dc:creator> <dc:creator>Zhengliang Wang</dc:creator> <dc:identifier>doi: 10.3390/cryst14110924</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-26</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-26</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>924</prism:startingPage> <prism:doi>10.3390/cryst14110924</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/924</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/923"> <title>Crystals, Vol. 14, Pages 923: Ce-Doped Iron Oxide Anticorrosive Coatings: Effect of c(Ce4+):c(Fe3+) Ratio on Structure, Morphology, and Coating Anticorrosion Performance</title> <link>https://www.mdpi.com/2073-4352/14/11/923</link> <description>Utilizing hydrothermal methods, Ce-doped iron oxide nanoparticles were synthesized from precursor solutions under different c(Ce4:c(Fe3+) precursor solutions. The effects of the c(Ce4+):c(Fe3+) ratio in the precursor solutions on the nanoparticle morphology and nanoparticle structure of the Ce-doped iron oxide were investigated using X-Ray diffraction, transmission electron microscopy, and scanning electron microscopy. Fourier transform infrared spectroscopy (FTIR) was used to examine the bond energy strength of the Ce-doped iron oxide nanoparticles. The electrochemical properties of the Ce-doped iron oxide nanoparticles were tested using an electrochemical workstation and a saltwater immersion resistance test. The corrosion resistance of Ce-doped iron oxide coatings at different c(Ce4+):c(Fe3+) ratios was systematically analyzed, uncovering corrosion resistance mechanisms and self-healing capabilities. The results show that as the c(Ce4+):c(Fe3+) ratio decreases, the lattice constants of the samples increase along with the average grain size. Both smaller and larger c(Ce4+):c(Fe3+) ratios are detrimental to lattice distortion in &amp;amp;alpha;-Fe2O3. The reduced number of valence electrons provided by cerium ions in Ce-doped iron oxide hinders the generation of holes and exerts a minor influence on the crystal band structure, leading to weaker electrochemical stability. The Ce-doped iron oxide coating prepared at a c(Ce4+):c(Fe3+) ratio of 1:60 readily generates a higher number of reactive hydroxyl radicals during corrosion, thus exhibiting enhanced self-healing capabilities and corrosion resistance.</description> <pubDate>2024-10-26</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 923: Ce-Doped Iron Oxide Anticorrosive Coatings: Effect of c(Ce4+):c(Fe3+) Ratio on Structure, Morphology, and Coating Anticorrosion Performance</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/923">doi: 10.3390/cryst14110923</a></p> <p>Authors: Junxiang Ning Xinyi Tang Peiyang Shi </p> <p>Utilizing hydrothermal methods, Ce-doped iron oxide nanoparticles were synthesized from precursor solutions under different c(Ce4:c(Fe3+) precursor solutions. The effects of the c(Ce4+):c(Fe3+) ratio in the precursor solutions on the nanoparticle morphology and nanoparticle structure of the Ce-doped iron oxide were investigated using X-Ray diffraction, transmission electron microscopy, and scanning electron microscopy. Fourier transform infrared spectroscopy (FTIR) was used to examine the bond energy strength of the Ce-doped iron oxide nanoparticles. The electrochemical properties of the Ce-doped iron oxide nanoparticles were tested using an electrochemical workstation and a saltwater immersion resistance test. The corrosion resistance of Ce-doped iron oxide coatings at different c(Ce4+):c(Fe3+) ratios was systematically analyzed, uncovering corrosion resistance mechanisms and self-healing capabilities. The results show that as the c(Ce4+):c(Fe3+) ratio decreases, the lattice constants of the samples increase along with the average grain size. Both smaller and larger c(Ce4+):c(Fe3+) ratios are detrimental to lattice distortion in &amp;amp;alpha;-Fe2O3. The reduced number of valence electrons provided by cerium ions in Ce-doped iron oxide hinders the generation of holes and exerts a minor influence on the crystal band structure, leading to weaker electrochemical stability. The Ce-doped iron oxide coating prepared at a c(Ce4+):c(Fe3+) ratio of 1:60 readily generates a higher number of reactive hydroxyl radicals during corrosion, thus exhibiting enhanced self-healing capabilities and corrosion resistance.</p> ]]></content:encoded> <dc:title>Ce-Doped Iron Oxide Anticorrosive Coatings: Effect of c(Ce4+):c(Fe3+) Ratio on Structure, Morphology, and Coating Anticorrosion Performance</dc:title> <dc:creator>Junxiang Ning</dc:creator> <dc:creator>Xinyi Tang</dc:creator> <dc:creator>Peiyang Shi</dc:creator> <dc:identifier>doi: 10.3390/cryst14110923</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-26</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-26</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>923</prism:startingPage> <prism:doi>10.3390/cryst14110923</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/923</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/922"> <title>Crystals, Vol. 14, Pages 922: Mini-LED Backlight: Advances and Future Perspectives</title> <link>https://www.mdpi.com/2073-4352/14/11/922</link> <description>Miniaturized-light-emitting diode (mini-LED) backlights have emerged as the state-of-the-art technology for liquid crystal display (LCD), facilitating the improvement in a high dynamic range (HDR) and power saving. The local dimming technology divides the backlight into several dimming zones. Employing mini-LEDs, whose size ranges from 100 to 200 &amp;amp;mu;m, as the light sources can enlarge the number of zones in the local dimming backlight, fulfilling the requirement for HDR. However, the halo effect still acts as one of the primary technological bottlenecks for mini-LED backlights. In this review, packaging technology of LEDs, color conversion, and the driving scheme of mini-LED backlights have been discussed. The strategies to reduce optical crosstalk in adjacent areas by various improved optical structures or to suppress the halo effect of LCDs by mini-LED backlights are summarized. The development trends of mini-LED backlights are also discussed.</description> <pubDate>2024-10-25</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 922: Mini-LED Backlight: Advances and Future Perspectives</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/922">doi: 10.3390/cryst14110922</a></p> <p>Authors: Junhua Lei Hengli Zhu Xiao Huang Junjie Lin Yifen Zheng Yijun Lu Zhong Chen Weijie Guo </p> <p>Miniaturized-light-emitting diode (mini-LED) backlights have emerged as the state-of-the-art technology for liquid crystal display (LCD), facilitating the improvement in a high dynamic range (HDR) and power saving. The local dimming technology divides the backlight into several dimming zones. Employing mini-LEDs, whose size ranges from 100 to 200 &amp;amp;mu;m, as the light sources can enlarge the number of zones in the local dimming backlight, fulfilling the requirement for HDR. However, the halo effect still acts as one of the primary technological bottlenecks for mini-LED backlights. In this review, packaging technology of LEDs, color conversion, and the driving scheme of mini-LED backlights have been discussed. The strategies to reduce optical crosstalk in adjacent areas by various improved optical structures or to suppress the halo effect of LCDs by mini-LED backlights are summarized. The development trends of mini-LED backlights are also discussed.</p> ]]></content:encoded> <dc:title>Mini-LED Backlight: Advances and Future Perspectives</dc:title> <dc:creator>Junhua Lei</dc:creator> <dc:creator>Hengli Zhu</dc:creator> <dc:creator>Xiao Huang</dc:creator> <dc:creator>Junjie Lin</dc:creator> <dc:creator>Yifen Zheng</dc:creator> <dc:creator>Yijun Lu</dc:creator> <dc:creator>Zhong Chen</dc:creator> <dc:creator>Weijie Guo</dc:creator> <dc:identifier>doi: 10.3390/cryst14110922</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-25</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-25</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Review</prism:section> <prism:startingPage>922</prism:startingPage> <prism:doi>10.3390/cryst14110922</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/922</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/921"> <title>Crystals, Vol. 14, Pages 921: Analysis of Energy Flow to the Interface Microstructure and Its Effect on Weld Strength in Ultrasonic Additive Manufacturing</title> <link>https://www.mdpi.com/2073-4352/14/11/921</link> <description>Ultrasonic additive manufacturing (UAM) is a process used for the three-dimensional printing of metal foil stock that can produce near-net-shaped metallic parts. This work details the development of an energy-based tool to identify the relationships between input energy, energy stored in the interface microstructure, and the strength of the weld interface in UAM. The stored energy in the grain boundaries of the crystallized grains in the interface microstructure are estimated using the Read&amp;amp;ndash;Shockley relationship. The energy stored in the interface is found to be positively correlated with the resulting weld strength. An energy flow diagram is developed to map the flow of energy from the welder to the workpiece and quantify the key participating energies such as the energy of plastic deformation, energy stored in the interface microstructure, energy required for asperity collapse, and heat generation. A better understanding of the flow of energy in UAM can assist in optimizing the process to maximize the portion of energy input by the welder that is used for bond formation.</description> <pubDate>2024-10-25</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 921: Analysis of Energy Flow to the Interface Microstructure and Its Effect on Weld Strength in Ultrasonic Additive Manufacturing</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/921">doi: 10.3390/cryst14110921</a></p> <p>Authors: Gowtham Venkatraman Leon M. Headings Marcelo J. Dapino </p> <p>Ultrasonic additive manufacturing (UAM) is a process used for the three-dimensional printing of metal foil stock that can produce near-net-shaped metallic parts. This work details the development of an energy-based tool to identify the relationships between input energy, energy stored in the interface microstructure, and the strength of the weld interface in UAM. The stored energy in the grain boundaries of the crystallized grains in the interface microstructure are estimated using the Read&amp;amp;ndash;Shockley relationship. The energy stored in the interface is found to be positively correlated with the resulting weld strength. An energy flow diagram is developed to map the flow of energy from the welder to the workpiece and quantify the key participating energies such as the energy of plastic deformation, energy stored in the interface microstructure, energy required for asperity collapse, and heat generation. A better understanding of the flow of energy in UAM can assist in optimizing the process to maximize the portion of energy input by the welder that is used for bond formation.</p> ]]></content:encoded> <dc:title>Analysis of Energy Flow to the Interface Microstructure and Its Effect on Weld Strength in Ultrasonic Additive Manufacturing</dc:title> <dc:creator>Gowtham Venkatraman</dc:creator> <dc:creator>Leon M. Headings</dc:creator> <dc:creator>Marcelo J. Dapino</dc:creator> <dc:identifier>doi: 10.3390/cryst14110921</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-25</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-25</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>921</prism:startingPage> <prism:doi>10.3390/cryst14110921</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/921</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/920"> <title>Crystals, Vol. 14, Pages 920: &amp;beta;-Yb2CdSb2&amp;mdash;A Complex Non-Centrosymmetric Zintl Polymorph</title> <link>https://www.mdpi.com/2073-4352/14/11/920</link> <description>The ternary Zintl phase, Yb2CdSb2, was discovered to exist in two different polymorphic forms. In addition to the orthorhombic &amp;amp;alpha;-Yb2CdSb2 (space group Cmc21) known for its excellent thermoelectric properties, we present the synthesis and characterization of the crystal and electronic structure of its monoclinic variant, &amp;amp;beta;-Yb2CdSb2. Structural characterization was performed with the single-crystal X-ray diffraction method. &amp;amp;beta;-Yb2CdSb2 crystallizes in a monoclinic crystal system with the non-centrosymmetric space group Cm (Z = 33, a = 81.801(5) &amp;amp;Aring;, b = 4.6186(3) &amp;amp;Aring;, c = 12.6742(7) &amp;amp;Aring;, &amp;amp;beta; = 93.0610(10)&amp;amp;deg;) and constitutes a new structure type. The complex crystal structure of &amp;amp;beta;-Yb2CdSb2 contrasts with the previously studied &amp;amp;beta;-Ca2CdPn2 (Pn = P, As, Sb) polymorphs, although it shares similar structural features. It consists of three different layers, made of corner-sharing [CdSb4] tetrahedra and stacked in the ABC sequence. The layers are interconnected via [CdSb3] trigonal planar units. Multiple Yb and Cd atomic sites exhibit partial occupancy, resulting in extensive structural disorder. Valence electron partitioning within the Zintl&amp;amp;ndash;Klemm formalism yields the formulation (Yb2+)1.98(Cd2+)1.01(Sb3&amp;amp;minus;)2(h+)0.02, highlighting the nearly charge-balanced composition. Detailed electronic structure calculations reveal the closed band gap and presumably semimetallic nature of &amp;amp;beta;-Yb2CdSb2 with the band structure features hinting at potential topological properties.</description> <pubDate>2024-10-25</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 920: &amp;beta;-Yb2CdSb2&amp;mdash;A Complex Non-Centrosymmetric Zintl Polymorph</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/920">doi: 10.3390/cryst14110920</a></p> <p>Authors: Spencer R. Watts Larissa Najera Michael O. Ogunbunmi Svilen Bobev Sviatoslav Baranets </p> <p>The ternary Zintl phase, Yb2CdSb2, was discovered to exist in two different polymorphic forms. In addition to the orthorhombic &amp;amp;alpha;-Yb2CdSb2 (space group Cmc21) known for its excellent thermoelectric properties, we present the synthesis and characterization of the crystal and electronic structure of its monoclinic variant, &amp;amp;beta;-Yb2CdSb2. Structural characterization was performed with the single-crystal X-ray diffraction method. &amp;amp;beta;-Yb2CdSb2 crystallizes in a monoclinic crystal system with the non-centrosymmetric space group Cm (Z = 33, a = 81.801(5) &amp;amp;Aring;, b = 4.6186(3) &amp;amp;Aring;, c = 12.6742(7) &amp;amp;Aring;, &amp;amp;beta; = 93.0610(10)&amp;amp;deg;) and constitutes a new structure type. The complex crystal structure of &amp;amp;beta;-Yb2CdSb2 contrasts with the previously studied &amp;amp;beta;-Ca2CdPn2 (Pn = P, As, Sb) polymorphs, although it shares similar structural features. It consists of three different layers, made of corner-sharing [CdSb4] tetrahedra and stacked in the ABC sequence. The layers are interconnected via [CdSb3] trigonal planar units. Multiple Yb and Cd atomic sites exhibit partial occupancy, resulting in extensive structural disorder. Valence electron partitioning within the Zintl&amp;amp;ndash;Klemm formalism yields the formulation (Yb2+)1.98(Cd2+)1.01(Sb3&amp;amp;minus;)2(h+)0.02, highlighting the nearly charge-balanced composition. Detailed electronic structure calculations reveal the closed band gap and presumably semimetallic nature of &amp;amp;beta;-Yb2CdSb2 with the band structure features hinting at potential topological properties.</p> ]]></content:encoded> <dc:title>&amp;amp;beta;-Yb2CdSb2&amp;amp;mdash;A Complex Non-Centrosymmetric Zintl Polymorph</dc:title> <dc:creator>Spencer R. Watts</dc:creator> <dc:creator>Larissa Najera</dc:creator> <dc:creator>Michael O. Ogunbunmi</dc:creator> <dc:creator>Svilen Bobev</dc:creator> <dc:creator>Sviatoslav Baranets</dc:creator> <dc:identifier>doi: 10.3390/cryst14110920</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-25</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-25</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>920</prism:startingPage> <prism:doi>10.3390/cryst14110920</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/920</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/919"> <title>Crystals, Vol. 14, Pages 919: Effect of DC Micro-Pulsing on Microstructure and Mechanical Properties of TIG Welded Ti-6Al-4V</title> <link>https://www.mdpi.com/2073-4352/14/11/919</link> <description>This paper deals with the influence of micro-pulsed direct current on microstructure and mechanical properties of gas tungsten arc welding (GTAW) weldments of Ti-6Al-4V (Ti-64). Bead-on-plate GTA welds were made on the samples in the un-pulsed and micro-pulsed (125 Hz and 250 Hz) conditions. Post-weld heat treatment (PWHT) was performed on a few coupons at 700 &amp;amp;deg;C for 3 h in an inert atmosphere, followed by furnace cooling. In the microstructure, the fusion zone (FZ), base metal (BM), and heat-affected zone (HAZ) can be easily distinguished. The top surface of the FZ has large columnar grains because of lower heat loss to the surrounding atmosphere, and the bottom region of the FZ has comparatively smaller equiaxed grains. The micro-pulsed samples&amp;amp;rsquo; FZ grain size was lower than that of those made without pulsing. This shows that high-frequency current has substantially refined prior &amp;amp;beta; grains. The microstructure of the FZ is characterized by an acicular morphology composed of &amp;amp;alpha;, martensitic &amp;amp;alpha;&amp;amp;prime;, and retained &amp;amp;beta; phases. The FZ&amp;amp;rsquo;s hardness was higher than the BM due to the presence of martensitic &amp;amp;alpha;&amp;amp;prime;. Additionally, the hardness in the HAZ was elevated due to the formation of finer martensitic &amp;amp;alpha;&amp;amp;prime;. Micro-pulsed DC welding led to improved mechanical properties, including higher hardness, ultimate tensile strength (UTS), and ductility compared to un-pulsed welding. This enhancement is attributed to the grain refinement achieved with micro-pulsed DC. After PWHT, the prior &amp;amp;beta; grain size remained relatively unchanged compared to the as-welded condition. However, the hardness in the FZ decreased due to the decomposition of &amp;amp;alpha;&amp;amp;prime; into &amp;amp;alpha; and &amp;amp;beta; phases. The ductility of all samples improved as a result of the widening of the diffusional &amp;amp;alpha; phase.</description> <pubDate>2024-10-25</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 919: Effect of DC Micro-Pulsing on Microstructure and Mechanical Properties of TIG Welded Ti-6Al-4V</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/919">doi: 10.3390/cryst14110919</a></p> <p>Authors: Jose Vypana Nagumothu Kishore Babu Mahesh Kumar Talari Karni Vamsi Krishna Chakravarthula Gopi Krishna Ateekh Ur Rehman </p> <p>This paper deals with the influence of micro-pulsed direct current on microstructure and mechanical properties of gas tungsten arc welding (GTAW) weldments of Ti-6Al-4V (Ti-64). Bead-on-plate GTA welds were made on the samples in the un-pulsed and micro-pulsed (125 Hz and 250 Hz) conditions. Post-weld heat treatment (PWHT) was performed on a few coupons at 700 &amp;amp;deg;C for 3 h in an inert atmosphere, followed by furnace cooling. In the microstructure, the fusion zone (FZ), base metal (BM), and heat-affected zone (HAZ) can be easily distinguished. The top surface of the FZ has large columnar grains because of lower heat loss to the surrounding atmosphere, and the bottom region of the FZ has comparatively smaller equiaxed grains. The micro-pulsed samples&amp;amp;rsquo; FZ grain size was lower than that of those made without pulsing. This shows that high-frequency current has substantially refined prior &amp;amp;beta; grains. The microstructure of the FZ is characterized by an acicular morphology composed of &amp;amp;alpha;, martensitic &amp;amp;alpha;&amp;amp;prime;, and retained &amp;amp;beta; phases. The FZ&amp;amp;rsquo;s hardness was higher than the BM due to the presence of martensitic &amp;amp;alpha;&amp;amp;prime;. Additionally, the hardness in the HAZ was elevated due to the formation of finer martensitic &amp;amp;alpha;&amp;amp;prime;. Micro-pulsed DC welding led to improved mechanical properties, including higher hardness, ultimate tensile strength (UTS), and ductility compared to un-pulsed welding. This enhancement is attributed to the grain refinement achieved with micro-pulsed DC. After PWHT, the prior &amp;amp;beta; grain size remained relatively unchanged compared to the as-welded condition. However, the hardness in the FZ decreased due to the decomposition of &amp;amp;alpha;&amp;amp;prime; into &amp;amp;alpha; and &amp;amp;beta; phases. The ductility of all samples improved as a result of the widening of the diffusional &amp;amp;alpha; phase.</p> ]]></content:encoded> <dc:title>Effect of DC Micro-Pulsing on Microstructure and Mechanical Properties of TIG Welded Ti-6Al-4V</dc:title> <dc:creator>Jose Vypana</dc:creator> <dc:creator>Nagumothu Kishore Babu</dc:creator> <dc:creator>Mahesh Kumar Talari</dc:creator> <dc:creator>Karni Vamsi Krishna</dc:creator> <dc:creator>Chakravarthula Gopi Krishna</dc:creator> <dc:creator>Ateekh Ur Rehman</dc:creator> <dc:identifier>doi: 10.3390/cryst14110919</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-25</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-25</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>919</prism:startingPage> <prism:doi>10.3390/cryst14110919</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/919</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/918"> <title>Crystals, Vol. 14, Pages 918: Identifications of False Positives Amongst Sodium(I) Cations in Protein Three-Dimensional Structures&amp;mdash;A Validation Approach Extendible to Any Alkali or Alkaline Earth Cation and to Any Monoatomic Anion</title> <link>https://www.mdpi.com/2073-4352/14/11/918</link> <description>Validation of the data deposited in the Protein Data Bank is of the upmost importance, since many other databases, data mining processes, and artificial intelligence tools are strictly grounded on them. The present paper is divided into two parts. The first part describes and analyzes validation methods that have been designed and used by the structural biology community. Everything began with the Ramachandran plot, with its allowed and disallowed types of backbone conformations, and evolved in different directions, with the inclusion of additional stereochemical features, distributions&amp;amp;rsquo; analyses of structural moieties, and scrutiny of structure factor amplitudes across the reciprocal lattice. The second part of the paper is focused on the largely unexplored problem of the high number of false positives amongst the sodium(I) cations observed in protein crystal structures. It is demonstrated that these false positives, which are atoms wrongly identified with sodium, can be identified by using electrostatic considerations and it is anticipated that this approach can be extended to other alkali and alkaline earth cations or to monoatomic anions. In the end, I think a global initiative, accessible to all volunteers and possibly overseen by the Protein Data Bank, should take the place of the numerous web servers and software applications by providing the community with a select few reliable and widely accepted tools.</description> <pubDate>2024-10-24</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 918: Identifications of False Positives Amongst Sodium(I) Cations in Protein Three-Dimensional Structures&amp;mdash;A Validation Approach Extendible to Any Alkali or Alkaline Earth Cation and to Any Monoatomic Anion</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/918">doi: 10.3390/cryst14110918</a></p> <p>Authors: Oliviero Carugo </p> <p>Validation of the data deposited in the Protein Data Bank is of the upmost importance, since many other databases, data mining processes, and artificial intelligence tools are strictly grounded on them. The present paper is divided into two parts. The first part describes and analyzes validation methods that have been designed and used by the structural biology community. Everything began with the Ramachandran plot, with its allowed and disallowed types of backbone conformations, and evolved in different directions, with the inclusion of additional stereochemical features, distributions&amp;amp;rsquo; analyses of structural moieties, and scrutiny of structure factor amplitudes across the reciprocal lattice. The second part of the paper is focused on the largely unexplored problem of the high number of false positives amongst the sodium(I) cations observed in protein crystal structures. It is demonstrated that these false positives, which are atoms wrongly identified with sodium, can be identified by using electrostatic considerations and it is anticipated that this approach can be extended to other alkali and alkaline earth cations or to monoatomic anions. In the end, I think a global initiative, accessible to all volunteers and possibly overseen by the Protein Data Bank, should take the place of the numerous web servers and software applications by providing the community with a select few reliable and widely accepted tools.</p> ]]></content:encoded> <dc:title>Identifications of False Positives Amongst Sodium(I) Cations in Protein Three-Dimensional Structures&amp;amp;mdash;A Validation Approach Extendible to Any Alkali or Alkaline Earth Cation and to Any Monoatomic Anion</dc:title> <dc:creator>Oliviero Carugo</dc:creator> <dc:identifier>doi: 10.3390/cryst14110918</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-24</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-24</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>918</prism:startingPage> <prism:doi>10.3390/cryst14110918</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/918</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/917"> <title>Crystals, Vol. 14, Pages 917: New Co-Crystals of Betaine: Significant Improvements in Hygroscopicity</title> <link>https://www.mdpi.com/2073-4352/14/11/917</link> <description>To reduce the hygroscopicity of betaine (BET), three co-crystals were synthesized: betaine-3,5-dihydroxybenzoic acid (BET-3,5-DHB), betaine-2,4-dihydroxybenzoic acid (BET-2,4-DHB), and betaine-3-hydroxybenzoic acid (BET-3-HDB). BET, commonly present in natural products, is used to treat homocysteine methyltransferase and has additional benefits such as hepatoprotective and neuroprotective properties. However, BET is extremely hygroscopic. Three cocrystals are acquired to address the problem. Comprehensive characterization, such as X-ray diffraction analysis, spectral analysis and thermal analysis, were conducted for co-crystals and BET. Based on the evaluation results for dynamic vapor sorption, the three co-crystals, especially BET-3-HDB, significantly reduce BET&amp;amp;rsquo;s hygroscopicity. At 90% RH, the weight changes of BET-2,4-DHB (0.36%), BET-3,5-DHB (1.79%) and BET-3-HDB (0.32%) are 306.9, 61.7, and 345.3 times greater than those of the raw material BET, respectively. Hygroscopicity results from BET&amp;amp;rsquo;s ability to easily create hydrogen bonding interactions with water molecules due to its carboxylate ions. Nevertheless, carboxylate ions establish hydrogen bonds with CCFs in co-crystals, lowering BET&amp;amp;rsquo;s hygroscopicity and minimizing the likelihood of contact with water molecules. The contributions of contacts in the co-crystals are shown by Hirschfeld surface analysis as follows: H-H &amp;amp;gt; O-H &amp;amp;gt; H-O. Coulomb forces are dominant in the co-crystals by 3D energy frameworks.</description> <pubDate>2024-10-24</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 917: New Co-Crystals of Betaine: Significant Improvements in Hygroscopicity</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/917">doi: 10.3390/cryst14110917</a></p> <p>Authors: Qi Li Shuang Li Zhipeng Wang Shiying Yang Yifei Xie Dezhi Yang Li Zhang Yang Lu </p> <p>To reduce the hygroscopicity of betaine (BET), three co-crystals were synthesized: betaine-3,5-dihydroxybenzoic acid (BET-3,5-DHB), betaine-2,4-dihydroxybenzoic acid (BET-2,4-DHB), and betaine-3-hydroxybenzoic acid (BET-3-HDB). BET, commonly present in natural products, is used to treat homocysteine methyltransferase and has additional benefits such as hepatoprotective and neuroprotective properties. However, BET is extremely hygroscopic. Three cocrystals are acquired to address the problem. Comprehensive characterization, such as X-ray diffraction analysis, spectral analysis and thermal analysis, were conducted for co-crystals and BET. Based on the evaluation results for dynamic vapor sorption, the three co-crystals, especially BET-3-HDB, significantly reduce BET&amp;amp;rsquo;s hygroscopicity. At 90% RH, the weight changes of BET-2,4-DHB (0.36%), BET-3,5-DHB (1.79%) and BET-3-HDB (0.32%) are 306.9, 61.7, and 345.3 times greater than those of the raw material BET, respectively. Hygroscopicity results from BET&amp;amp;rsquo;s ability to easily create hydrogen bonding interactions with water molecules due to its carboxylate ions. Nevertheless, carboxylate ions establish hydrogen bonds with CCFs in co-crystals, lowering BET&amp;amp;rsquo;s hygroscopicity and minimizing the likelihood of contact with water molecules. The contributions of contacts in the co-crystals are shown by Hirschfeld surface analysis as follows: H-H &amp;amp;gt; O-H &amp;amp;gt; H-O. Coulomb forces are dominant in the co-crystals by 3D energy frameworks.</p> ]]></content:encoded> <dc:title>New Co-Crystals of Betaine: Significant Improvements in Hygroscopicity</dc:title> <dc:creator>Qi Li</dc:creator> <dc:creator>Shuang Li</dc:creator> <dc:creator>Zhipeng Wang</dc:creator> <dc:creator>Shiying Yang</dc:creator> <dc:creator>Yifei Xie</dc:creator> <dc:creator>Dezhi Yang</dc:creator> <dc:creator>Li Zhang</dc:creator> <dc:creator>Yang Lu</dc:creator> <dc:identifier>doi: 10.3390/cryst14110917</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-24</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-24</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>917</prism:startingPage> <prism:doi>10.3390/cryst14110917</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/917</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/916"> <title>Crystals, Vol. 14, Pages 916: Designing of WS2@NiCoS@ZnS Nanocomposite Electrode Material for High-Performance Energy Storage Applications</title> <link>https://www.mdpi.com/2073-4352/14/11/916</link> <description>Researchers are developing innovative electrode materials with high energy and power densities worldwide for effectual energy storage systems. Transition metal dichalcogenides (TMDs) are arranged in two dimensions (2D) and have shown great promise as materials for photoelectrochemical activity and supercapacitor batteries. This study reports on the fabrication of WS2@NiCoS and WS2@NiCoS@ZnS hybrid nano-architectures through a simple hydrothermal approach. Because of the strong interfacial contact between the two materials, the resultant hierarchical hybrids have tunable porosity nanopetal decorated morphologies, rich exposed active edge sites, and high intrinsic activity. The specific capacities of the hybrid supercapacitors built using WS2@NiCoS and WS2@NiCoS@ZnS electrodes are 784.38 C g&amp;amp;minus;1 and 1211.58 C g&amp;amp;minus;1 or 2019.3 F g&amp;amp;minus;1, respectively, when performed at 2 A g&amp;amp;minus;1 using a three-electrode setup. Furthermore, an asymmetric device (WS2@NiCoS@ZnS//AC) shows a high specific capacity of 190.5 C g&amp;amp;minus;1, an energy density of 49.47 Wh kg&amp;amp;minus;1, and a power density of 1212.30 W kg&amp;amp;minus;1. Regarding the photoelectrochemical activity, the WS2@NiCoS@ZnS catalyst exhibits noteworthy characteristics. Our findings pave the way for further in-depth research into the use of composite materials doped with WS2 as systematic energy-generating devices of the future.</description> <pubDate>2024-10-24</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 916: Designing of WS2@NiCoS@ZnS Nanocomposite Electrode Material for High-Performance Energy Storage Applications</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/916">doi: 10.3390/cryst14110916</a></p> <p>Authors: Muhammad Imran Amir Muhammad Afzal Areej S. Alqarni Muhammad Waqas Iqbal Sohail Mumtaz </p> <p>Researchers are developing innovative electrode materials with high energy and power densities worldwide for effectual energy storage systems. Transition metal dichalcogenides (TMDs) are arranged in two dimensions (2D) and have shown great promise as materials for photoelectrochemical activity and supercapacitor batteries. This study reports on the fabrication of WS2@NiCoS and WS2@NiCoS@ZnS hybrid nano-architectures through a simple hydrothermal approach. Because of the strong interfacial contact between the two materials, the resultant hierarchical hybrids have tunable porosity nanopetal decorated morphologies, rich exposed active edge sites, and high intrinsic activity. The specific capacities of the hybrid supercapacitors built using WS2@NiCoS and WS2@NiCoS@ZnS electrodes are 784.38 C g&amp;amp;minus;1 and 1211.58 C g&amp;amp;minus;1 or 2019.3 F g&amp;amp;minus;1, respectively, when performed at 2 A g&amp;amp;minus;1 using a three-electrode setup. Furthermore, an asymmetric device (WS2@NiCoS@ZnS//AC) shows a high specific capacity of 190.5 C g&amp;amp;minus;1, an energy density of 49.47 Wh kg&amp;amp;minus;1, and a power density of 1212.30 W kg&amp;amp;minus;1. Regarding the photoelectrochemical activity, the WS2@NiCoS@ZnS catalyst exhibits noteworthy characteristics. Our findings pave the way for further in-depth research into the use of composite materials doped with WS2 as systematic energy-generating devices of the future.</p> ]]></content:encoded> <dc:title>Designing of WS2@NiCoS@ZnS Nanocomposite Electrode Material for High-Performance Energy Storage Applications</dc:title> <dc:creator>Muhammad Imran</dc:creator> <dc:creator>Amir Muhammad Afzal</dc:creator> <dc:creator>Areej S. Alqarni</dc:creator> <dc:creator>Muhammad Waqas Iqbal</dc:creator> <dc:creator>Sohail Mumtaz</dc:creator> <dc:identifier>doi: 10.3390/cryst14110916</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-24</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-24</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>916</prism:startingPage> <prism:doi>10.3390/cryst14110916</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/916</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <item rdf:about="https://www.mdpi.com/2073-4352/14/11/915"> <title>Crystals, Vol. 14, Pages 915: Revealing Enhanced Optical Modulation and Coloration Efficiency in Nanogranular WO3 Thin Films Through Precursor Concentration Modifications</title> <link>https://www.mdpi.com/2073-4352/14/11/915</link> <description>Electrochromic (EC) materials allow for dynamic tuning of optical properties via an applied electric field, presenting great potential in energy-efficient technologies, such as smart windows for effective light and temperature regulation. The precise control of precursor concentration has proven to be a powerful approach in tailoring the physicochemical properties of semiconducting metal oxides. In this study, we employed a one-step electrodeposition technique to fabricate tungsten oxide (WO3) thin films, systematically exploring how varying precursor concentrations influence the material&amp;amp;rsquo;s characteristics. X-ray diffraction analysis revealed significant changes in diffraction patterns, reflecting subtle structural modifications due to concentration variations. Additionally, scanning electron microscopy revealed significant changes in the microstructure, showing a progression from small nanogranules to larger agglomerations within the film matrix. The W-25 mM thin film delivered exceptional EC performance, efficiently accommodating lithium ions while showcasing superior EC properties. The optimized electrode, denoted as W-25 mM, showcased exceptional EC metrics, featuring the highest optical modulation at 82.66%, outstanding reversibility at 99%, and a notably high coloring efficiency of 83.01 cm2/C. These findings emphasize the importance of precursor concentration optimization in enhancing the EC properties of WO3 thin films, contributing to the advancement of high-performance, energy-efficient materials.</description> <pubDate>2024-10-23</pubDate> <content:encoded><![CDATA[ <p><b>Crystals, Vol. 14, Pages 915: Revealing Enhanced Optical Modulation and Coloration Efficiency in Nanogranular WO3 Thin Films Through Precursor Concentration Modifications</b></p> <p>Crystals <a href="https://www.mdpi.com/2073-4352/14/11/915">doi: 10.3390/cryst14110915</a></p> <p>Authors: Pritam J. Morankar Rutuja U. Amate Namita A. Ahir Chan-Wook Jeon </p> <p>Electrochromic (EC) materials allow for dynamic tuning of optical properties via an applied electric field, presenting great potential in energy-efficient technologies, such as smart windows for effective light and temperature regulation. The precise control of precursor concentration has proven to be a powerful approach in tailoring the physicochemical properties of semiconducting metal oxides. In this study, we employed a one-step electrodeposition technique to fabricate tungsten oxide (WO3) thin films, systematically exploring how varying precursor concentrations influence the material&amp;amp;rsquo;s characteristics. X-ray diffraction analysis revealed significant changes in diffraction patterns, reflecting subtle structural modifications due to concentration variations. Additionally, scanning electron microscopy revealed significant changes in the microstructure, showing a progression from small nanogranules to larger agglomerations within the film matrix. The W-25 mM thin film delivered exceptional EC performance, efficiently accommodating lithium ions while showcasing superior EC properties. The optimized electrode, denoted as W-25 mM, showcased exceptional EC metrics, featuring the highest optical modulation at 82.66%, outstanding reversibility at 99%, and a notably high coloring efficiency of 83.01 cm2/C. These findings emphasize the importance of precursor concentration optimization in enhancing the EC properties of WO3 thin films, contributing to the advancement of high-performance, energy-efficient materials.</p> ]]></content:encoded> <dc:title>Revealing Enhanced Optical Modulation and Coloration Efficiency in Nanogranular WO3 Thin Films Through Precursor Concentration Modifications</dc:title> <dc:creator>Pritam J. Morankar</dc:creator> <dc:creator>Rutuja U. Amate</dc:creator> <dc:creator>Namita A. Ahir</dc:creator> <dc:creator>Chan-Wook Jeon</dc:creator> <dc:identifier>doi: 10.3390/cryst14110915</dc:identifier> <dc:source>Crystals</dc:source> <dc:date>2024-10-23</dc:date> <prism:publicationName>Crystals</prism:publicationName> <prism:publicationDate>2024-10-23</prism:publicationDate> <prism:volume>14</prism:volume> <prism:number>11</prism:number> <prism:section>Article</prism:section> <prism:startingPage>915</prism:startingPage> <prism:doi>10.3390/cryst14110915</prism:doi> <prism:url>https://www.mdpi.com/2073-4352/14/11/915</prism:url> <cc:license rdf:resource="CC BY 4.0"/> </item> <cc:License rdf:about="https://creativecommons.org/licenses/by/4.0/"> <cc:permits rdf:resource="https://creativecommons.org/ns#Reproduction" /> <cc:permits rdf:resource="https://creativecommons.org/ns#Distribution" /> <cc:permits rdf:resource="https://creativecommons.org/ns#DerivativeWorks" /> </cc:License> </rdf:RDF>