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</div> <div class="control"> <button class="button is-small is-link">Go</button> </div> </div> </form> </div> </div> <ol class="breathe-horizontal" start="1"> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2304.01939">arXiv:2304.01939</a> <span> [<a href="https://arxiv.org/pdf/2304.01939">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> </div> </div> <p class="title is-5 mathjax"> Elucidating the Mechanism of Large Phosphate Molecule Intercalation Through Graphene Heterointerfaces </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Liang%2C+J">Jiayun Liang</a>, <a href="/search/cond-mat?searchtype=author&query=Ma%2C+K">Ke Ma</a>, <a href="/search/cond-mat?searchtype=author&query=Zhao%2C+X">Xiao Zhao</a>, <a href="/search/cond-mat?searchtype=author&query=Lu%2C+G">Guanyu Lu</a>, <a href="/search/cond-mat?searchtype=author&query=Riffle%2C+J+V">Jake V. Riffle</a>, <a href="/search/cond-mat?searchtype=author&query=Andrei%2C+C">Carmen Andrei</a>, <a href="/search/cond-mat?searchtype=author&query=Dong%2C+C">Chengye Dong</a>, <a href="/search/cond-mat?searchtype=author&query=Furkan%2C+T">Turker Furkan</a>, <a href="/search/cond-mat?searchtype=author&query=Rajabpour%2C+S">Siavash Rajabpour</a>, <a href="/search/cond-mat?searchtype=author&query=Prabhakar%2C+R+R">Rajiv Ramanujam Prabhakar</a>, <a href="/search/cond-mat?searchtype=author&query=Robinson%2C+J+A">Joshua A. Robinson</a>, <a href="/search/cond-mat?searchtype=author&query=Vasquez%2C+M+R">Magdaleno R. Vasquez Jr.</a>, <a href="/search/cond-mat?searchtype=author&query=Trinh%2C+Q+T">Quang Thang Trinh</a>, <a href="/search/cond-mat?searchtype=author&query=Ager%2C+J+W">Joel W. Ager</a>, <a href="/search/cond-mat?searchtype=author&query=Salmeron%2C+M">Miquel Salmeron</a>, <a href="/search/cond-mat?searchtype=author&query=Aloni%2C+S">Shaul Aloni</a>, <a href="/search/cond-mat?searchtype=author&query=Caldwell%2C+J+D">Joshua D. Caldwell</a>, <a href="/search/cond-mat?searchtype=author&query=Hollen%2C+S+M">Shawna M. Hollen</a>, <a href="/search/cond-mat?searchtype=author&query=Bechtel%2C+H+A">Hans A. Bechtel</a>, <a href="/search/cond-mat?searchtype=author&query=Bassim%2C+N">Nabil Bassim</a>, <a href="/search/cond-mat?searchtype=author&query=Sherburne%2C+M+P">Matthew P. Sherburne</a>, <a href="/search/cond-mat?searchtype=author&query=Balushi%2C+Z+Y+A">Zakaria Y. Al Balushi</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2304.01939v1-abstract-short" style="display: inline;"> Intercalation is a process of inserting chemical species into the heterointerfaces of two-dimensional (2D) layered materials. While much research has focused on intercalating metals and small gas molecules into graphene, the intercalation of larger molecules through the basal plane of graphene remains highly unexplored. In this work, we present a new mechanism for intercalating large molecules thr… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2304.01939v1-abstract-full').style.display = 'inline'; document.getElementById('2304.01939v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2304.01939v1-abstract-full" style="display: none;"> Intercalation is a process of inserting chemical species into the heterointerfaces of two-dimensional (2D) layered materials. While much research has focused on intercalating metals and small gas molecules into graphene, the intercalation of larger molecules through the basal plane of graphene remains highly unexplored. In this work, we present a new mechanism for intercalating large molecules through monolayer graphene to form confined oxide materials at the graphene-substrate heterointerface. We investigate the intercalation of phosphorus pentoxide (P2O5) molecules directly from the vapor phase and confirm the formation of confined P2O5 at the graphene heterointerface using various techniques. Density functional theory (DFT) corroborate the experimental results and reveal the intercalation mechanism, whereby P2O5 dissociates into small fragments catalyzed by defects in the graphene that then permeates through lattice defects and reacts at the heterointerface to form P2O5. This process can also be used to form new confined metal phosphates (e.g., 2D InPO4). While the focus of this study is on P2O5 intercalation, the possibility of intercalation from pre-dissociated molecules catalyzed by defects in graphene may exist for other types of molecules as well. This study is a significant milestone in advancing our understanding of intercalation routes of large molecules via the basal plane of graphene, as well as heterointerface chemical reactions leading to the formation of distinctive confined complex oxide compounds. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2304.01939v1-abstract-full').style.display = 'none'; document.getElementById('2304.01939v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 4 April, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> April 2023. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2106.00117">arXiv:2106.00117</a> <span> [<a href="https://arxiv.org/pdf/2106.00117">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> Tunable Two-Dimensional Group-III Metal Alloys </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Rajabpour%2C+S">Siavash Rajabpour</a>, <a href="/search/cond-mat?searchtype=author&query=Vera%2C+A">Alexander Vera</a>, <a href="/search/cond-mat?searchtype=author&query=He%2C+W">Wen He</a>, <a href="/search/cond-mat?searchtype=author&query=Katz%2C+B+N">Benjamin N. Katz</a>, <a href="/search/cond-mat?searchtype=author&query=Koch%2C+R+J">Roland J. Koch</a>, <a href="/search/cond-mat?searchtype=author&query=Lassauni%C3%A8re%2C+M">Margaux Lassauni猫re</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+X">Xuegang Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+C">Cequn Li</a>, <a href="/search/cond-mat?searchtype=author&query=Nisi%2C+K">Katharina Nisi</a>, <a href="/search/cond-mat?searchtype=author&query=El-Sherif%2C+H">Hesham El-Sherif</a>, <a href="/search/cond-mat?searchtype=author&query=Wetherington%2C+M+T">Maxwell T. Wetherington</a>, <a href="/search/cond-mat?searchtype=author&query=Dong%2C+C">Chengye Dong</a>, <a href="/search/cond-mat?searchtype=author&query=Bostwick%2C+A">Aaron Bostwick</a>, <a href="/search/cond-mat?searchtype=author&query=Jozwiak%2C+C">Chris Jozwiak</a>, <a href="/search/cond-mat?searchtype=author&query=van+Duin%2C+A+C+T">Adri C. T. van Duin</a>, <a href="/search/cond-mat?searchtype=author&query=Bassim%2C+N">Nabil Bassim</a>, <a href="/search/cond-mat?searchtype=author&query=Zhu%2C+J">Jun Zhu</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+G">Gwo-Ching Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Wurstbauer%2C+U">Ursula Wurstbauer</a>, <a href="/search/cond-mat?searchtype=author&query=Rotenberg%2C+E">Eli Rotenberg</a>, <a href="/search/cond-mat?searchtype=author&query=Crespi%2C+V">Vincent Crespi</a>, <a href="/search/cond-mat?searchtype=author&query=Quek%2C+S+Y">Su Ying Quek</a>, <a href="/search/cond-mat?searchtype=author&query=Robinson%2C+J+A">Joshua A. Robinson</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2106.00117v1-abstract-short" style="display: inline;"> Chemically stable quantum-confined 2D metals are of interest in next-generation nanoscale quantum devices. Bottom-up design and synthesis of such metals could enable the creation of materials with tailored, on-demand, electronic and optical properties for applications that utilize tunable plasmonic coupling, optical non-linearity, epsilon-near-zero behavior, or wavelength-specific light trapping.… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2106.00117v1-abstract-full').style.display = 'inline'; document.getElementById('2106.00117v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2106.00117v1-abstract-full" style="display: none;"> Chemically stable quantum-confined 2D metals are of interest in next-generation nanoscale quantum devices. Bottom-up design and synthesis of such metals could enable the creation of materials with tailored, on-demand, electronic and optical properties for applications that utilize tunable plasmonic coupling, optical non-linearity, epsilon-near-zero behavior, or wavelength-specific light trapping. In this work, we demonstrate that the electronic, superconducting and optical properties of air-stable two-dimensional metals can be controllably tuned by the formation of alloys. Environmentally robust large-area two-dimensional InxGa1-x alloys are synthesized by Confinement Heteroepitaxy (CHet). Near-complete solid solubility is achieved with no evidence of phase segregation, and the composition is tunable over the full range of x by changing the relative elemental composition of the precursor. The optical and electronic properties directly correlate with alloy composition, wherein the dielectric function, band structure, superconductivity, and charge transfer from the metal to graphene are all controlled by the indium/gallium ratio in the 2D metal layer. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2106.00117v1-abstract-full').style.display = 'none'; document.getElementById('2106.00117v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 31 May, 2021; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> June 2021. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2006.11985">arXiv:2006.11985</a> <span> [<a href="https://arxiv.org/pdf/2006.11985">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Chemical Physics">physics.chem-ph</span> </div> </div> <p class="title is-5 mathjax"> Polyacrylonitrile/Graphene Nanocomposite: Towards the Next Generation of Carbon Fibers </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Rajabpour%2C+S">Siavash Rajabpour</a>, <a href="/search/cond-mat?searchtype=author&query=Mao%2C+Q">Qian Mao</a>, <a href="/search/cond-mat?searchtype=author&query=Gao%2C+Z">Zan Gao</a>, <a href="/search/cond-mat?searchtype=author&query=Talkhoncheh%2C+M+K">Mahdi Khajeh Talkhoncheh</a>, <a href="/search/cond-mat?searchtype=author&query=Zhu%2C+J">Jiadeng Zhu</a>, <a href="/search/cond-mat?searchtype=author&query=Schwab%2C+Y">Yosyp Schwab</a>, <a href="/search/cond-mat?searchtype=author&query=Kowalik%2C+M">Malgorzata Kowalik</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+X">Xiaodong Li</a>, <a href="/search/cond-mat?searchtype=author&query=van+Duin%2C+A+C+T">Adri C. T. van Duin</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2006.11985v1-abstract-short" style="display: inline;"> Carbon Fibers (CFs) are the key solution for the future lightweight vehicle with enhanced fuel efficiency and reduced emissions owing to their ultrahigh strength to weight ratio. However, the high cost of the current dominant PAN-based CFs hinders their application. The use of low-cost alternative precursors may overcome this issue. Unfortunately, low-cost CFs derived from cheaper single component… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2006.11985v1-abstract-full').style.display = 'inline'; document.getElementById('2006.11985v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2006.11985v1-abstract-full" style="display: none;"> Carbon Fibers (CFs) are the key solution for the future lightweight vehicle with enhanced fuel efficiency and reduced emissions owing to their ultrahigh strength to weight ratio. However, the high cost of the current dominant PAN-based CFs hinders their application. The use of low-cost alternative precursors may overcome this issue. Unfortunately, low-cost CFs derived from cheaper single component precursors suffer from poor mechanical properties. Developing composite CFs by adding nanoadditives is very promising for low-cost CFs. Therefore, a fundamental understanding of carbonization condition impacts and polymer/additives conversion mechanisms during whole CF production are essential to develop low-cost CFs. In this work, we have demonstrated how the carbonization temperature affects the PAN/graphene CFs properties by performing a series of ReaxFF based molecular dynamics simulations. We found that graphene edges along with the nitrogen and oxygen functional groups have a catalytic role and act as seeds for the graphitic structure growth. Our MD simulations unveil that the addition of the graphene to PAN precursor modifies all-carbon membered rings in CFs and enhances the alignments of 6-member carbon rings in carbonization which leads to superior mechanical properties compare to PAN-based CFs. These ReaxFF simulation results are validates by experimental structural and mechanical characterizations. Interestingly, mechanical characterizations indicate that PAN/graphene CFs carbonized at 1250 C demonstrate 90.9% increase in strength and 101.9% enhancement in Young's modulus compare to the PAN-based CFs carbonized at 1500 C. The superior mechanical properties of PAN/graphene CFs at lower carbonization temperatures offers a path to both energy savings and cost reduction by decreasing the carbonization temperature and could provide key insights for the development of low-cost CFs. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2006.11985v1-abstract-full').style.display = 'none'; document.getElementById('2006.11985v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 21 June, 2020; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> June 2020. </p> </li> </ol> <div class="is-hidden-tablet">  <span class="help" style="display: inline-block;"><a href="https://github.com/arXiv/arxiv-search/releases">Search v0.5.6 released 2020-02-24</a>  </span> </div> </div> </main> <footer> <div class="columns is-desktop" role="navigation" 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