Structural and Optical Properties of SrTiO3-Based Ceramics for Energy and Electronics Applications

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} div.type-section h2 { font-size: 20px; line-height: 26px; font-weight: 300; } div.type-section h3 { margin-left: 15px; margin-bottom: 0px; font-weight: 300; } .journal-tabs .tab-title.active a { } </style> <link rel="stylesheet" href="https://pub.mdpi-res.com/assets/css/slick.css?f38b2db10e01b157?1739771134"> <meta name="title" content="Structural and Optical Properties of SrTiO3-Based Ceramics for Energy and Electronics Applications"> <meta name="description" content="A series of Sr1−xDyxTi1−yNbyO3−δ (0.05 ≤ x, y ≤ 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−xDyxTi1−yNbyO3−δ using X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and ultraviolet−visible−near-infrared (UV−VIS−NIR) spectroscopy. The sintered Sr1−xDyxTi1−yNbyO3−δ 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−xDyxTi1−yNbyO3−δ with high electrical conductivity is suitable for energy and electronics applications." > <link rel="image_src" href="https://pub.mdpi-res.com/img/journals/crystals-logo.png?a2c22e8538083c0b" > <meta name="dc.title" content="Structural and Optical Properties of SrTiO3-Based Ceramics for Energy and Electronics Applications"> <meta name="dc.creator" content="Donghoon Kim"> <meta name="dc.creator" content="Soyeon Gwon"> <meta name="dc.creator" content="Kyeongsoon Park"> <meta name="dc.creator" content="Eui-Chan Jeon"> <meta name="dc.type" content="Article"> <meta name="dc.source" content="Crystals 2024, Vol. 14, Page 942"> <meta name="dc.date" content="2024-10-30"> <meta name ="dc.identifier" content="10.3390/cryst14110942"> <meta name="dc.publisher" content="Multidisciplinary Digital Publishing Institute"> <meta name="dc.rights" content="http://creativecommons.org/licenses/by/3.0/"> <meta name="dc.format" content="application/pdf" > <meta name="dc.language" content="en" > <meta name="dc.description" content="A series of Sr1−xDyxTi1−yNbyO3−δ (0.05 ≤ x, y ≤ 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−xDyxTi1−yNbyO3−δ using X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and ultraviolet−visible−near-infrared (UV−VIS−NIR) spectroscopy. The sintered Sr1−xDyxTi1−yNbyO3−δ 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−xDyxTi1−yNbyO3−δ with high electrical conductivity is suitable for energy and electronics applications." > <meta name="dc.subject" content="energy" > <meta name="dc.subject" content="climate change" > <meta name="dc.subject" content="environment" > <meta name="dc.subject" content="SrTiO<sub>3</sub>" > <meta name="dc.subject" content="crystal structure" > <meta name="dc.subject" content="structural properties" > <meta name="dc.subject" content="optical properties" > <meta name="dc.subject" content="doping" > <meta name ="prism.issn" content="2073-4352"> <meta name ="prism.publicationName" content="Crystals"> <meta name ="prism.publicationDate" content="2024-10-30"> <meta name ="prism.volume" content="14"> <meta name ="prism.number" content="11"> <meta name ="prism.section" content="Article" > <meta name ="prism.startingPage" content="942" > <meta name="citation_issn" content="2073-4352"> <meta name="citation_journal_title" content="Crystals"> <meta name="citation_publisher" content="Multidisciplinary Digital Publishing Institute"> <meta name="citation_title" content="Structural and Optical Properties of SrTiO3-Based Ceramics for Energy and Electronics Applications"> <meta name="citation_publication_date" content="2024/11"> <meta name="citation_online_date" content="2024/10/30"> <meta name="citation_volume" content="14"> <meta name="citation_issue" content="11"> <meta name="citation_firstpage" content="942"> <meta name="citation_author" content="Kim, Donghoon"> <meta name="citation_author" content="Gwon, Soyeon"> <meta name="citation_author" content="Park, Kyeongsoon"> <meta name="citation_author" content="Jeon, Eui-Chan"> <meta name="citation_doi" content="10.3390/cryst14110942"> <meta name="citation_id" content="mdpi-cryst14110942"> <meta name="citation_abstract_html_url" content="https://www.mdpi.com/2073-4352/14/11/942"> <meta name="citation_pdf_url" content="https://www.mdpi.com/2073-4352/14/11/942/pdf?version=1736936856"> <link rel="alternate" type="application/pdf" title="PDF Full-Text" href="https://www.mdpi.com/2073-4352/14/11/942/pdf?version=1736936856"> <meta name="fulltext_pdf" content="https://www.mdpi.com/2073-4352/14/11/942/pdf?version=1736936856"> <meta name="citation_fulltext_html_url" content="https://www.mdpi.com/2073-4352/14/11/942/htm"> <link rel="alternate" type="text/html" title="HTML Full-Text" href="https://www.mdpi.com/2073-4352/14/11/942/htm"> <meta name="fulltext_html" content="https://www.mdpi.com/2073-4352/14/11/942/htm"> <link rel="alternate" type="text/xml" title="XML Full-Text" href="https://www.mdpi.com/2073-4352/14/11/942/xml"> <meta name="fulltext_xml" content="https://www.mdpi.com/2073-4352/14/11/942/xml"> <meta name="citation_xml_url" content="https://www.mdpi.com/2073-4352/14/11/942/xml"> <meta name="twitter:card" content="summary" /> <meta name="twitter:site" content="@MDPIOpenAccess" /> <meta name="twitter:image" content="https://pub.mdpi-res.com/img/journals/crystals-logo-social.png?a2c22e8538083c0b" /> <meta property="fb:app_id" content="131189377574"/> <meta property="og:site_name" content="MDPI"/> <meta property="og:type" content="article"/> <meta property="og:url" content="https://www.mdpi.com/2073-4352/14/11/942" /> <meta property="og:title" content="Structural and Optical Properties of SrTiO3-Based Ceramics for Energy and Electronics Applications" /> <meta property="og:description" content="A series of Sr1−xDyxTi1−yNbyO3−δ (0.05 ≤ x, y ≤ 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−xDyxTi1−yNbyO3−δ using X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and ultraviolet−visible−near-infrared (UV−VIS−NIR) spectroscopy. The sintered Sr1−xDyxTi1−yNbyO3−δ 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−xDyxTi1−yNbyO3−δ with high electrical conductivity is suitable for energy and electronics applications." /> <meta property="og:image" content="https://pub.mdpi-res.com/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g001-550.jpg?1737537665" /> <link rel="alternate" type="application/rss+xml" title="MDPI Publishing - Latest articles" href="https://www.mdpi.com/rss"> <meta name="google-site-verification" content="PxTlsg7z2S00aHroktQd57fxygEjMiNHydKn3txhvwY"> <meta name="facebook-domain-verification" content="mcoq8dtq6sb2hf7z29j8w515jjoof7" /> <script id="Cookiebot" data-cfasync="false" src="https://consent.cookiebot.com/uc.js" data-cbid="51491ddd-fe7a-4425-ab39-69c78c55829f" type="text/javascript" async></script>  <script type="text/plain" data-cookieconsent="statistics"> (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start': new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0], j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src= 'https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f); 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</div> </div> </div> </div> <article ><div class='html-article-content'> <span itemprop="publisher" content="Multidisciplinary Digital Publishing Institute"></span><span itemprop="url" content="https://www.mdpi.com/2073-4352/14/11/942"></span> <div class="article-icons"><span class="label openaccess" data-dropdown="drop-article-label-openaccess" aria-expanded="false">Open Access</span><span class="label articletype">Article</span></div> <h1 class="title hypothesis_container" itemprop="name"> Structural and Optical Properties of SrTiO<sub>3</sub>-Based Ceramics for Energy and Electronics Applications </h1> <div class="art-authors hypothesis_container"> by <span class="inlineblock "><div class='profile-card-drop' data-dropdown='profile-card-drop13663566' data-options='is_hover:true, hover_timeout:5000'> Donghoon Kim</div><div id="profile-card-drop13663566" data-dropdown-content class="f-dropdown content profile-card-content" aria-hidden="true" tabindex="-1"><div 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class="button button--color-inversed" target="_blank" rels="noopener noreferrer"> Google Scholar </a></div></div><sup> 1</sup><span style="display: inline; margin-left: 5px;"></span><a class="toEncode emailCaptcha visibility-hidden" data-author-id="13663566" href="/cdn-cgi/l/email-protection#29064a474d044a4e400645064c4448404504595b465d4c4a5d4046470a191919191e101d111d4b1d481d4f1d4a1a10181e1811194f184a194b1c1e1848181f181d"><sup><i class="fa fa-envelope-o"></i></sup></a>, </span><span class="inlineblock "><div class='profile-card-drop' data-dropdown='profile-card-drop13663567' data-options='is_hover:true, hover_timeout:5000'> Soyeon Gwon</div><div id="profile-card-drop13663567" data-dropdown-content class="f-dropdown content profile-card-content" aria-hidden="true" tabindex="-1"><div class="profile-card__title"><div class="sciprofiles-link" style="display: inline-block"><div class="sciprofiles-link__link"><img class="sciprofiles-link__image" 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5px;"></span><a class="toEncode emailCaptcha visibility-hidden" data-author-id="13663567" href="/cdn-cgi/l/email-protection#3d125e5359105e5a5412511258505c5451104d4f5249585e495452531e0d0d0c050b5f0c0f085c085f085c0805080e080408050f5f0d080d5c0c590d580c0409080d050d090d0b"><sup><i class="fa fa-envelope-o"></i></sup></a>, </span><span class="inlineblock "><div class='profile-card-drop' data-dropdown='profile-card-drop13663568' data-options='is_hover:true, hover_timeout:5000'> Kyeongsoon Park</div><div id="profile-card-drop13663568" data-dropdown-content class="f-dropdown content profile-card-content" aria-hidden="true" tabindex="-1"><div class="profile-card__title"><div class="sciprofiles-link" style="display: inline-block"><div class="sciprofiles-link__link"><img class="sciprofiles-link__image" src="/bundles/mdpisciprofileslink/img/unknown-user.png" style="width: auto; height: 16px; border-radius: 50%;"><span class="sciprofiles-link__name">Kyeongsoon Park</span></div></div></div><div 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href="/cdn-cgi/l/email-protection#66490508024b05010f490a49030b070f0a4b161409120305120f0908455656575e500457045607575f56565404575e5603565756525653560552535607565e52535656575f"><sup><i class="fa fa-envelope-o"></i></sup></a> and </span><span class="inlineblock "><div class='profile-card-drop' data-dropdown='profile-card-drop13663569' data-options='is_hover:true, hover_timeout:5000'> Eui-Chan Jeon</div><div id="profile-card-drop13663569" data-dropdown-content class="f-dropdown content profile-card-content" aria-hidden="true" tabindex="-1"><div class="profile-card__title"><div class="sciprofiles-link" style="display: inline-block"><div class="sciprofiles-link__link"><img class="sciprofiles-link__image" src="/profiles/4382/thumb/Eui-Chan_Jeon.png" style="width: auto; height: 16px; border-radius: 50%;"><span class="sciprofiles-link__name">Eui-Chan Jeon</span></div></div></div><div class="profile-card__buttons" style="margin-bottom: 10px;"><a 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fa-envelope-o"></i></sup></a><a href="https://orcid.org/0000-0003-2783-4550" target="_blank" rel="noopener noreferrer"><img src="https://pub.mdpi-res.com/img/design/orcid.png?0465bc3812adeb52?1739771134" title="ORCID" style="position: relative; width: 13px; margin-left: 3px; max-width: 13px !important; height: auto; top: -5px;"></a></span> </div> <div class="nrm"></div> <span style="display:block; height:6px;"></span> <div></div> <div style="margin: 5px 0 15px 0;" class="hypothesis_container"> <div class="art-affiliations"> <div class="affiliation "> <div class="affiliation-item"><sup>1</sup></div> <div class="affiliation-name ">Faculty of Nanotechnology and Advanced Materials Engineering, Sejong University, Seoul 05006, Republic of Korea</div> </div> <div class="affiliation "> <div class="affiliation-item"><sup>2</sup></div> <div class="affiliation-name ">Department of Climate and Energy, Sejong University, Seoul 05006, Republic of Korea</div> </div> <div class="affiliation"> <div class="affiliation-item"><sup>*</sup></div> <div class="affiliation-name ">Author to whom correspondence should be addressed. </div> </div> </div> </div> <div class="bib-identity" style="margin-bottom: 10px;"> <em>Crystals</em> <b>2024</b>, <em>14</em>(11), 942; <a href="https://doi.org/10.3390/cryst14110942">https://doi.org/10.3390/cryst14110942</a> </div> <div class="pubhistory" style="font-weight: bold; padding-bottom: 10px;"> <span style="display: inline-block">Submission received: 19 September 2024</span> / <span style="display: inline-block">Revised: 28 October 2024</span> / <span style="display: inline-block">Accepted: 28 October 2024</span> / <span style="display: inline-block">Published: 30 October 2024</span> </div> <div class="belongsTo" style="margin-bottom: 10px;"> (This article belongs to the Special Issue <a href=" /journal/crystals/special_issues/YU1YF7N579 ">Precision and Ultra-Precision Machining for Ceramics and Composite Materials</a>)<br/> </div> <div class="highlight-box1"> <div class="download"> <a class="button button--color-inversed button--drop-down" data-dropdown="drop-download-1510151" aria-controls="drop-supplementary-1510151" aria-expanded="false"> Download <i class="material-icons">keyboard_arrow_down</i> </a> <div id="drop-download-1510151" class="f-dropdown label__btn__dropdown label__btn__dropdown--button" data-dropdown-content aria-hidden="true" tabindex="-1"> <a class="UD_ArticlePDF" href="/2073-4352/14/11/942/pdf?version=1736936856" data-name="Structural and Optical Properties of SrTiO3-Based Ceramics for Energy and Electronics Applications" data-journal="crystals">Download PDF</a> <br/> <a id="js-pdf-with-cover-access-captcha" href="#" data-target="/2073-4352/14/11/942/pdf-with-cover" class="accessCaptcha">Download PDF with Cover</a> <br/> <a id="js-xml-access-captcha" href="#" data-target="/2073-4352/14/11/942/xml" class="accessCaptcha">Download XML</a> <br/> <a href="/2073-4352/14/11/942/epub" 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<strong>Figure 2</strong><br/> <p>XRD refinement profiles of the (<b>a</b>) D5/N5, (<b>b</b>) D5/N10, (<b>c</b>) D10/N5, and (<b>d</b>) D10/N10 samples.</p> "> </a> <a href="https://pub.mdpi-res.com/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g003.png?1737537667" title=" <strong>Figure 3</strong><br/> <p>XPS survey spectra of the (<b>a</b>) D5/N5 and (<b>b</b>) D10/N10 samples.</p> "> </a> <a href="https://pub.mdpi-res.com/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g004.png?1737537670" title=" <strong>Figure 4</strong><br/> <p>High-resolution XPS spectra of the (<b>a</b>) Sr, (<b>b</b>) Dy, (<b>c</b>) Ti, (<b>d</b>) Nb, and (<b>e</b>) O elements in the D5/N5 and D10/N10 samples.</p> "> </a> <a href="https://pub.mdpi-res.com/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g005.png?1737537672" title=" <strong>Figure 5</strong><br/> <p>(<b>a</b>) UV−Vis−NIR diffuse reflectance spectra and (<b>b</b>) relationship between (<span class="html-italic">αhν</span>)<sup>1/2</sup> and photon energy (<span class="html-italic">hν</span>) of Sr<sub>1−<span class="html-italic">x</span></sub>Dy<span class="html-italic"><sub>x</sub></span>Ti<sub>1−<span class="html-italic">y</span></sub>Nb<span class="html-italic"><sub>y</sub></span>O<sub>3−<span class="html-italic">δ</span></sub> (0.05 ≤ <span class="html-italic">x</span>, <span class="html-italic">y</span> ≤ 0.10).</p> "> </a> </div> <a class="button button--color-inversed" href="/2073-4352/14/11/942/notes">Versions Notes</a> </div> </div> <div class="responsive-moving-container small hidden" data-id="article-counters" style="margin-top: 15px;"></div> <div class="html-dynamic"> <section> <div class="art-abstract art-abstract-new in-tab hypothesis_container"> <p> <div><section class="html-abstract" id="html-abstract"> <h2 id="html-abstract-title">Abstract</h2><b>:</b> <div class="html-p">A series of Sr<sub>1−<span class="html-italic">x</span></sub>Dy<span class="html-italic"><sub>x</sub></span>Ti<sub>1−<span class="html-italic">y</span></sub>Nb<span class="html-italic"><sub>y</sub></span>O<sub>3−<span class="html-italic">δ</span></sub> (0.05 ≤ <span class="html-italic">x</span>, <span class="html-italic">y</span> ≤ 0.10) samples were fabricated using cold compaction, followed by sintering in a (95% N<sub>2</sub> + 5% H<sub>2</sub>) reducing atmosphere. We studied the crystal structure and optical properties of Sr<sub>1−<span class="html-italic">x</span></sub>Dy<span class="html-italic"><sub>x</sub></span>Ti<sub>1−<span class="html-italic">y</span></sub>Nb<span class="html-italic"><sub>y</sub></span>O<sub>3−<span class="html-italic">δ</span></sub> using X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and ultraviolet−visible−near-infrared (UV-VIS-NIR) spectroscopy. The sintered Sr<sub>1−<span class="html-italic">x</span></sub>Dy<span class="html-italic"><sub>x</sub></span>Ti<sub>1−<span class="html-italic">y</span></sub>Nb<span class="html-italic"><sub>y</sub></span>O<sub>3−<span class="html-italic">δ</span></sub> had a tetragonal structure (<span class="html-italic">I</span>4/<span class="html-italic">mcm</span> space group). In the sintered samples, Ti ions existed as a mixture of Ti<sup>3+</sup> and Ti<sup>4+</sup>, and Nb ions existed as a mixture of Nb<sup>4+</sup> and Nb<sup>5+</sup>. The band-gap energies decreased with increasing Dy/Nb concentrations. The incorporation of Ti and Nb ions, the formation of both Ti<sup>3+</sup> and Nb<sup>4+</sup> ions, and the reduction in band-gap energies are likely highly effective for increasing the electron concentration and the corresponding electrical conductivity. Sr<sub>1−<span class="html-italic">x</span></sub>Dy<span class="html-italic"><sub>x</sub></span>Ti<sub>1−<span class="html-italic">y</span></sub>Nb<span class="html-italic"><sub>y</sub></span>O<sub>3−<span class="html-italic">δ</span></sub> with high electrical conductivity is suitable for energy and electronics applications.</div> </section> <div id="html-keywords"> <div class="html-gwd-group"><div id="html-keywords-title">Keywords: </div><a href="/search?q=energy">energy</a>; <a href="/search?q=climate+change">climate change</a>; <a href="/search?q=environment">environment</a>; <a href="/search?q=SrTiO3">SrTiO<sub>3</sub></a>; <a href="/search?q=crystal+structure">crystal structure</a>; <a href="/search?q=structural+properties">structural properties</a>; <a href="/search?q=optical+properties">optical properties</a>; <a href="/search?q=doping">doping</a></div> <div> </div> </div> </div> </p> </div> </section> </div> <div class="hypothesis_container"> <ul class="menu html-nav" data-prev-node="#html-quick-links-title"> </ul> <div class="html-body"> <section id='sec1-crystals-14-00942' type='intro'><h2 data-nested='1'> 1. Introduction</h2><div class='html-p'>A perovskite-type metal oxide can be represented by the general formula ABO<sub>3</sub> (A: alkaline earth metal, B: transition metal). Strontium titanate (SrTiO<sub>3</sub>) at ambient temperature and pressure has a cubic crystal structure (space group <span class='html-italic'>Pm</span><math display='inline'> <semantics> <mrow> <mover accent="true"> <mrow> <mn>3</mn> </mrow> <mo>¯</mo> </mover> </mrow> </semantics> </math><span class='html-italic'>m</span>, lattice parameter <span class='html-italic'>a</span> = 3.905 Å). As the temperature decreases, SrTiO<sub>3</sub> undergoes a cubic-to-tetragonal and antiferrodistortive phase transition at approximately 100–110 K [<a href="#B1-crystals-14-00942" class="html-bibr">1</a>]. In addition, cubic SrTiO<sub>3</sub> consists of corner-shared TiO<sub>6</sub> octahedra surrounding Sr<sup>2+</sup>, and the Sr<sup>2+</sup> is bonded to twelve equivalent O<sup>2−</sup> ions [<a href="#B2-crystals-14-00942" class="html-bibr">2</a>,<a href="#B3-crystals-14-00942" class="html-bibr">3</a>,<a href="#B4-crystals-14-00942" class="html-bibr">4</a>]. The electronic band structure of SrTiO<sub>3</sub> consists of a conduction band formed by triply degenerate Ti 3<span class='html-italic'>d</span> orbitals and a valence band formed by an O 2<span class='html-italic'>p</span> orbital [<a href="#B2-crystals-14-00942" class="html-bibr">2</a>]. Pure SrTiO<sub>3</sub> is an electronic insulator at room temperature [<a href="#B5-crystals-14-00942" class="html-bibr">5</a>] but can become an n-type semiconductor by doping donor impurities such as Y, Sm, Nb, and La. Oxygen vacancies can be introduced by heating in a reducing atmosphere or low oxygen partial pressure [<a href="#B1-crystals-14-00942" class="html-bibr">1</a>], thereby generating electrons and charged ions. Hence, SrTiO<sub>3</sub> is regarded as a mixed electronic–ionic semiconductor.</div><div class='html-p'>SrTiO<sub>3</sub> possesses several interesting properties, including a high thermoelectric power factor, high chemical and thermal stability, low dielectric loss, a high dielectric constant, high anisotropy, a high melting point (2080 °C), and the generation of photogenerated charge carriers [<a href="#B4-crystals-14-00942" class="html-bibr">4</a>,<a href="#B5-crystals-14-00942" class="html-bibr">5</a>,<a href="#B6-crystals-14-00942" class="html-bibr">6</a>,<a href="#B7-crystals-14-00942" class="html-bibr">7</a>,<a href="#B8-crystals-14-00942" class="html-bibr">8</a>]. Thus, these characteristics enable a wide range of applications, including thermoelectric materials, anode materials for solid oxide fuel cells (SOFCs), hydrogen sensors, photocatalysts, capacitors, hydrogen storage, solar cells, optical sensors, field effect transistors, random access memory, oxygen sensors, environmental remediation, synaptic emulators, dielectric substrates, and memristors [<a href="#B9-crystals-14-00942" class="html-bibr">9</a>,<a href="#B10-crystals-14-00942" class="html-bibr">10</a>,<a href="#B11-crystals-14-00942" class="html-bibr">11</a>,<a href="#B12-crystals-14-00942" class="html-bibr">12</a>,<a href="#B13-crystals-14-00942" class="html-bibr">13</a>,<a href="#B14-crystals-14-00942" class="html-bibr">14</a>,<a href="#B15-crystals-14-00942" class="html-bibr">15</a>,<a href="#B16-crystals-14-00942" class="html-bibr">16</a>,<a href="#B17-crystals-14-00942" class="html-bibr">17</a>,<a href="#B18-crystals-14-00942" class="html-bibr">18</a>,<a href="#B19-crystals-14-00942" class="html-bibr">19</a>,<a href="#B20-crystals-14-00942" class="html-bibr">20</a>,<a href="#B21-crystals-14-00942" class="html-bibr">21</a>,<a href="#B22-crystals-14-00942" class="html-bibr">22</a>,<a href="#B23-crystals-14-00942" class="html-bibr">23</a>,<a href="#B24-crystals-14-00942" class="html-bibr">24</a>].</div><div class='html-p'>As typical application examples, SrTiO<sub>3</sub> possesses a high electron effective mass and Seebeck coefficient due to its degenerate conduction band, leading to excellent thermoelectric performance [<a href="#B9-crystals-14-00942" class="html-bibr">9</a>,<a href="#B25-crystals-14-00942" class="html-bibr">25</a>,<a href="#B26-crystals-14-00942" class="html-bibr">26</a>]. Thermoelectric power generation is a promising technology for addressing global warming and climate change by converting waste heat into electricity. The energy conversion efficiency of thermoelectric materials is measured by the dimensionless figure-of-merit, <span class='html-italic'>ZT</span> = (<span class='html-italic'>σα</span>²/<span class='html-italic'>κ</span>)<span class='html-italic'>T</span>, where <span class='html-italic'>σ</span>, <span class='html-italic'>α</span>, <span class='html-italic'>κ</span>, and <span class='html-italic'>T</span> represent the electrical conductivity, Seebeck coefficient, thermal conductivity, and absolute temperature, respectively. Consequently, increasing the values of <span class='html-italic'>σ</span> and <span class='html-italic'>α</span> as well as lowering the value of <span class='html-italic'>κ</span> value are necessary to enhance the <span class='html-italic'>ZT</span> value. In addition, La-doped SrTiO<sub>3</sub> has garnered considerable interest as an anode material for SOFCs because of its high electrical conductivity in reducing environments, excellent dimensional and chemical stability during redox cycling, and remarkable resistance to sulfur and coking [<a href="#B11-crystals-14-00942" class="html-bibr">11</a>]. SOFCs can help to produce electrical energy and reduce environmental pollution associated with conventional fossil fuels. SrTiO<sub>3</sub> can also be used as a photocatalyst to construct photocatalyst panel reactors for evaluating the feasibility of photocatalytic water splitting technology, including the largest panel reactor built for hydrogen production [<a href="#B4-crystals-14-00942" class="html-bibr">4</a>,<a href="#B5-crystals-14-00942" class="html-bibr">5</a>,<a href="#B13-crystals-14-00942" class="html-bibr">13</a>,<a href="#B14-crystals-14-00942" class="html-bibr">14</a>].</div><div class='html-p'>The electrical conductivity of SrTiO<sub>3</sub> increases with donor doping of higher valence cations on Sr and/or Ti sites. Therefore, to further extend the application of SrTiO<sub>3</sub> by increasing electrical conductivity, in this work, trivalent Dy<sup>3+</sup> ions are doped into the Sr<sup>2+</sup> ion site and pentavalent Nb<sup>5+</sup> ions are doped into the Ti<sup>4+</sup> site. Dy/Nb co-doping can enhance the electron concentration in accordance with the following Kröger−Vink equations:<div class='html-disp-formula-info' id='FD1-crystals-14-00942'> <div class='f'> <math display='block'> <semantics> <mrow> <msub> <mrow> <mi mathvariant="normal">D</mi> <mi mathvariant="normal">y</mi> </mrow> <mrow> <mn>2</mn> </mrow> </msub> <msub> <mrow> <mi mathvariant="normal">O</mi> </mrow> <mrow> <mn>3</mn> </mrow> </msub> <mo>+</mo> <mn>2</mn> <msubsup> <mrow> <mi mathvariant="normal">T</mi> <mi mathvariant="normal">i</mi> </mrow> <mrow> <mi mathvariant="normal">T</mi> <mi mathvariant="normal">i</mi> </mrow> <mrow> <mo>×</mo> </mrow> </msubsup> <mover accent="false"> <mo>→</mo> <mrow> <mi mathvariant="normal">S</mi> <mi mathvariant="normal">r</mi> <mi mathvariant="normal">T</mi> <mi mathvariant="normal">i</mi> <msub> <mrow> <mi mathvariant="normal">O</mi> </mrow> <mrow> <mn>3</mn> </mrow> </msub> </mrow> </mover> <mn>2</mn> <msubsup> <mrow> <mi mathvariant="normal">D</mi> <mi mathvariant="normal">y</mi> </mrow> <mrow> <mi mathvariant="normal">S</mi> <mi mathvariant="normal">r</mi> </mrow> <mrow> <mo>•</mo> </mrow> </msubsup> <mo>+</mo> <msubsup> <mrow> <mn>2</mn> <mi mathvariant="normal">O</mi> </mrow> <mrow> <mi mathvariant="normal">O</mi> </mrow> <mrow> <mo>×</mo> </mrow> </msubsup> <mo>+</mo> <mstyle scriptlevel="0" displaystyle="true"><mfrac> <mrow> <mn>1</mn> </mrow> <mrow> <mn>2</mn> </mrow> </mfrac></mstyle> <msub> <mrow> <mi mathvariant="normal">O</mi> </mrow> <mrow> <mn>2</mn> </mrow> </msub> <mo>+</mo> <msubsup> <mrow> <mn>2</mn> <mi mathvariant="normal">T</mi> <mi mathvariant="normal">i</mi> </mrow> <mrow> <mi mathvariant="normal">T</mi> <mi mathvariant="normal">i</mi> </mrow> <mrow> <mo>′</mo> </mrow> </msubsup> </mrow> </semantics> </math> </div> <div class='l'> <label >(1)</label> </div> </div><div class='html-disp-formula-info' id='FD2-crystals-14-00942'> <div class='f'> <math display='block'> <semantics> <mrow> <msub> <mrow> <mi mathvariant="normal">N</mi> <mi mathvariant="normal">b</mi> </mrow> <mrow> <mn>2</mn> </mrow> </msub> <msub> <mrow> <mi mathvariant="normal">O</mi> </mrow> <mrow> <mn>5</mn> </mrow> </msub> <mo>+</mo> <mn>2</mn> <msubsup> <mrow> <mi mathvariant="normal">T</mi> <mi mathvariant="normal">i</mi> </mrow> <mrow> <mi mathvariant="normal">T</mi> <mi mathvariant="normal">i</mi> </mrow> <mrow> <mo>×</mo> </mrow> </msubsup> <mover accent="false"> <mo>→</mo> <mrow> <mi mathvariant="normal">S</mi> <mi mathvariant="normal">r</mi> <mi mathvariant="normal">T</mi> <mi mathvariant="normal">i</mi> <msub> <mrow> <mi mathvariant="normal">O</mi> </mrow> <mrow> <mn>3</mn> </mrow> </msub> </mrow> </mover> <mn>2</mn> <msubsup> <mrow> <mi mathvariant="normal">N</mi> <mi mathvariant="normal">b</mi> </mrow> <mrow> <mi>T</mi> <mi>i</mi> </mrow> <mrow> <mo>•</mo> </mrow> </msubsup> <mo>+</mo> <msubsup> <mrow> <mn>4</mn> <mi mathvariant="normal">O</mi> </mrow> <mrow> <mi mathvariant="normal">O</mi> </mrow> <mrow> <mo>×</mo> </mrow> </msubsup> <mo>+</mo> <mstyle scriptlevel="0" displaystyle="true"><mfrac> <mrow> <mn>1</mn> </mrow> <mrow> <mn>2</mn> </mrow> </mfrac></mstyle> <msub> <mrow> <mi mathvariant="normal">O</mi> </mrow> <mrow> <mn>2</mn> </mrow> </msub> <mo>+</mo> <msubsup> <mrow> <mn>2</mn> <mi mathvariant="normal">T</mi> <mi mathvariant="normal">i</mi> </mrow> <mrow> <mi mathvariant="normal">T</mi> <mi mathvariant="normal">i</mi> </mrow> <mrow> <mo>′</mo> </mrow> </msubsup> </mrow> </semantics> </math> </div> <div class='l'> <label >(2)</label> </div> </div></div><div class='html-p'>In the present study, we investigated the crystal structure and optical properties of Dy and Nb co-doped SrTiO<sub>3</sub>, Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10), using SEM, XRD Rietveld refinement, XPS, and optical band-gap energy calculations. XRD Rietveld refinement was performed using FullProf software to retrieve detailed structural parameters. XPS was utilized to examine the oxidation states of the constituting elements (Sr, Dy, Ti, Nb, and O) in Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub>. UV-Vis-NIR diffuse reflectance spectra were obtained to investigate the optical band-gap energy.</div></section><section id='sec2-crystals-14-00942' type=''><h2 data-nested='1'> 2. Experimental Section</h2><div class='html-p'>Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10) powders were synthesized using a solid-state reaction. The starting powders used were SrCO<sub>3</sub> (99.9%), TiO<sub>2</sub> (99.9%, 2 <span class='html-italic'>μ</span>m), Dy<sub>2</sub>O<sub>3</sub> (99.9%), and Nb<sub>2</sub>O<sub>5</sub> (99.9%, 1 <span class='html-italic'>μ</span>m). All the raw materials were purchased from Kojundo Chemical Laboratory Co., Ltd(Osaka, Japan). The starting materials were weighed in specific proportions. A mixture of the weighed starting powders was ball-milled for 8 h at 200 rpm using a ZrO<sub>2</sub> ball as a grinding media. The ball-milled powders were heated to 1300 °C at a heating rate of 5 °C min<sup>−1</sup> in air, kept at this temperature for 6 h, and then furnace-cooled naturally to room temperature. The resulting powders were milled for 4 h at 350 rpm using a planetary mill (Fritsch Pulverisette 6, Idar-Oberstein, Germany) and ZrO<sub>2</sub> balls. The planetary-milled powders were passed through a 100-mesh sieve and then cold-pressed at 100 MPa to prepare green pellets. The pellets were heated to 1300 °C at a heating rate of 5 °C min<sup>−1</sup> in a (95% N<sub>2</sub> + 5% H<sub>2</sub>) reducing atmosphere, maintained at that temperature for 10 h, and then furnace-cooled to room temperature. The fabricated Sr<sub>0.95</sub>Dy<sub>0.05</sub>Ti<sub>0.95</sub>Nb<sub>0.05</sub>O<sub>3−<span class='html-italic'>δ</span></sub>, Sr<sub>0.95</sub>Dy<sub>0.05</sub>Ti<sub>0.90</sub>Nb<sub>0.10</sub>O<sub>3−<span class='html-italic'>δ</span></sub>, Sr<sub>0.90</sub>Dy<sub>0.10</sub>Ti<sub>0.95</sub>Nb<sub>0.05</sub>O<sub>3−<span class='html-italic'>δ</span></sub>, and Sr<sub>0.90</sub>Dy<sub>0.10</sub>Ti<sub>0.90</sub>Nb<sub>0.10</sub>O<sub>3−<span class='html-italic'>δ</span></sub> samples were designated as D5/N5, D5/N10, D10/N5, and D10/N10, respectively.</div><div class='html-p'>The microstructural properties of the sintered samples were examined using a scanning electron microscope (SEM; Hitachi SU8010, Tokyo, Japan). The porosity of the sintered samples was measured using Archimedes’ principle. The crystal structure of the sintered samples was analyzed by X-ray diffraction (XRD) at room temperature using an XRD system (X’Pert PRO, PANalytical, Almelo, the Netherlands) with Cu K<sub>α</sub> radiation (<span class='html-italic'>λ</span> = 1.5406 Å). The crystal structure was further analyzed using XRD Rietveld refinement with the FullProf software. XPS (K−alpha, Thermo VG, Oxford, UK) was employed to examine the surface elemental composition and valence states of the constituent elements in the sintered samples. The optical band-gap of the sintered samples was estimated from the diffuse reflectance spectra measured using a UV−Vis−NIR spectrophotometer (Agilent, Varian Cary 5000, Santa Clara, CA, USA).</div></section><section id='sec3-crystals-14-00942' type='results'><h2 data-nested='1'> 3. Results and Discussion</h2><div class='html-p'><a href="#crystals-14-00942-f001" class="html-fig">Figure 1</a> shows the SEM images of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10). The introduction of Dy and Nb ions slightly decreases the bulk density of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub>, resulting in 94% and 90% of the theoretical density for the D5/N5 and D10/N10 samples, respectively. Most pores are located at the grain boundaries, which can act as electron scattering centers. As a result, the pores reduce the electrical conductivity (<span class='html-italic'>σ</span>), which can be explained by the effective medium theory as follows [<a href="#B27-crystals-14-00942" class="html-bibr">27</a>]: <div class='html-disp-formula-info' id=''> <div class='f'> <span class='html-italic'>σ</span> = [(3<span class='html-italic'>f</span> − 1)<span class='html-italic'>σ</span><sub>0</sub>]/2 </div> <div class='l'> <label >(3)</label> </div> </div> where <span class='html-italic'>f</span> is the fraction of material excluding pores, and <span class='html-italic'>σ</span><sub>0</sub> is the electrical conductivity of pore-free material. Furthermore, the doped Dy and Nb ions reduce the grain size of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub>, with grain sizes of 1.3 μm and 0.8 μm for the D5/N5 and D10/N10 samples, respectively. The grain size is estimated using the linear intercept method from the SEM images. The reduction in grain size results from the inhibition of grain boundary mobility due to the pinning effect and solute dragging effect [<a href="#B28-crystals-14-00942" class="html-bibr">28</a>,<a href="#B29-crystals-14-00942" class="html-bibr">29</a>].</div><div class='html-p'>The standard file of tetragonal SrTiO<sub>3</sub> (ICSD # 65140) is employed for the Rietveld refinement. <a href="#crystals-14-00942-f002" class="html-fig">Figure 2</a> displays the calculated XRD refined profiles of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10) along with the measured diffraction profiles. The diffraction peaks are indexed as a tetragonal structure with the <span class='html-italic'>I</span>4/<span class='html-italic'>mcm</span> space group. Detailed crystallographic information extracted from the refinements and reliability factors (<span class='html-italic'>R</span> values), including weighted-profile <span class='html-italic'>R</span> factor (<span class='html-italic'>R</span><sub>wp</sub>), expected <span class='html-italic'>R</span> factor (<span class='html-italic'>R</span><sub>exp</sub>), and goodness of fittings (GOF <span class='html-italic'>χ</span> = <span class='html-italic'>R</span><sub>wp</sub>/<span class='html-italic'>R</span><sub>exp</sub>), is summarized in <a href="#crystals-14-00942-t001" class="html-table">Table 1</a>. The lattice parameter decreases with an increasing Dy concentration, whereas it increases with an increasing Nb concentration. The lattice parameters (<span class='html-italic'>a</span>, <span class='html-italic'>c</span>) of the D5/N5, D5/N10, D10/N5, and D10/N10 samples are (5.5241 Å, 7.8243 Å), (5.5352 Å, 7.8375 Å), (5.5220 Å, 7.8241 Å), and (5.5336 Å, 7.8374 Å), respectively. This is due to the fact that the ionic radius of Dy<sup>3+</sup> (1.08 Å) is smaller than that of Sr<sup>2+</sup> (1.44 Å), while the ionic radius of Nb<sup>5+</sup> (0.64 Å) is larger than that of Ti<sup>4+</sup> (0.605 Å) [<a href="#B30-crystals-14-00942" class="html-bibr">30</a>,<a href="#B31-crystals-14-00942" class="html-bibr">31</a>]. The lattice parameters obtained here are similar to those of previously reported SrTiO<sub>3</sub> [<a href="#B32-crystals-14-00942" class="html-bibr">32</a>]. The values of <span class='html-italic'>R</span><sub>wp</sub>, <span class='html-italic'>R</span><sub>exp</sub>, and <span class='html-italic'>χ</span><sup>2</sup> are in the ranges of 6.23–7.77, 4.17–4.45, and 2.03–3.05, respectively, indicating highly credible Rietveld refinement.</div><div class='html-p'>The three-dimensional crystal structures of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<sub>x</sub>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<sub>y</sub>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ x, y ≤ 0.10) are generated using the VESTA program and displayed in <a href="#app1-crystals-14-00942" class="html-app">Supplementary Figure S1</a>. There are two types of oxygen atoms, O(1) and (O2). The bond distances between the constituting atoms of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> are provided in <a href="#crystals-14-00942-t002" class="html-table">Table 2</a>. Generally, the bond distances of Sr−O(1), Sr−O(2), Ti−O(1), Ti−O(2), and Ti−Ti for the D5/N5 sample are smaller than those for the D5/N10 sample, whereas the bond distances of Sr−O(1), Sr−O(2), Ti−O(1), Ti−O(2), and Ti−Ti for the D10/N10 sample are larger than those for the D10/N5 sample. This is due to the fact that Dy<sup>3+</sup> (1.08 Å) has a smaller ionic radius compared to Sr<sup>2+</sup> (1.44 Å), while Nb<sup>5+</sup> (0.64 Å) has a larger ionic radius than Ti<sup>4+</sup> (0.605 Å) [<a href="#B30-crystals-14-00942" class="html-bibr">30</a>,<a href="#B31-crystals-14-00942" class="html-bibr">31</a>]. The atomic coordinate, isotropic thermal parameter (<span class='html-italic'>B</span><sub>iso</sub>), and occupancy factor extracted from the Rietveld refinements for Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> are summarized in <a href="#app1-crystals-14-00942" class="html-app">Supplementary Table S1</a>. The atomic coordinates of Sr, Ti, and O(1) atoms in Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> are scarcely affected by the compositions, specifically (0, 0.50, 0.25), (0, 0, 0), and (0, 0, 0.25), respectively. On the other hand, the atomic coordinates of the O(2) atom are dependent on the compositions, i.e., (0.2281, 0.7281, 0.0000), (0.2304, 0.7304, 0.0000), (0.2220, 0.7220, 0.0000), and (0.2284, 0.7284, 0.0000) for the D5/N5, D5/N10, D10/N5, and D10/N10 samples, respectively. Furthermore, the occupancy factors of the constituting atoms for all the fabricated samples are 1.0000.</div><div class='html-p'>The oxidation states and binding energies of the constituting elements (Sr, Dy, Ti, Nb, and O) in Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10) are investigated using XPS. The survey spectra of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> in the binding energy range of 0–1350 eV show the presence of the constituting elements and their binding energies (<a href="#crystals-14-00942-f003" class="html-fig">Figure 3</a>). No notable differences are observed among the survey spectra with varying compositions. The binding energies and oxidation states of the Sr, Dy, Ti, Nb, and O elements are obtained from high-resolution XPS scan spectra. In addition to the characteristic peaks of the constituting elements, the C 1s peaks are observed at ~285 eV, indicating the presence of carbon- and oxygen-containing contaminants that typically adsorb onto the sample surface from the atmosphere [<a href="#B33-crystals-14-00942" class="html-bibr">33</a>,<a href="#B34-crystals-14-00942" class="html-bibr">34</a>,<a href="#B35-crystals-14-00942" class="html-bibr">35</a>]. The adsorbed oxygen may interfere with the O in Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<sub>x</sub>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<sub>y</sub>O<sub>3−<span class='html-italic'>δ</span></sub>.</div><div class='html-p'>The high-resolution XPS scan spectra of the Sr element in the D5/N5 and D10/N10 samples are shown in <a href="#crystals-14-00942-f004" class="html-fig">Figure 4</a>a. The XPS spectra of Sr 3<span class='html-italic'>d</span> are composed of two peaks, Sr 3<span class='html-italic'>d</span><sub>3/2</sub> and Sr 3<span class='html-italic'>d</span><sub>5/2</sub> [<a href="#B36-crystals-14-00942" class="html-bibr">36</a>,<a href="#B37-crystals-14-00942" class="html-bibr">37</a>,<a href="#B38-crystals-14-00942" class="html-bibr">38</a>]. The binding energies of the Sr 3<span class='html-italic'>d</span><sub>3/2</sub> and Sr 3<span class='html-italic'>d</span><sub>5/2</sub> peaks are summarized in <a href="#app1-crystals-14-00942" class="html-app">Supplementary Table S2</a>. The difference between the binding energies of the Sr 3<span class='html-italic'>d</span><sub>3/2</sub> and Sr 3<span class='html-italic'>d</span><sub>5/2</sub> peaks is 1.8 eV, irrespective of the composition. These results indicate that the Sr ions are in the +2 oxidation state. The high-resolution XPS spectra of the Dy element in the D5/N5 and D10/N10 samples are shown in <a href="#crystals-14-00942-f004" class="html-fig">Figure 4</a>b. The symmetrical Dy spectra, centered at ∼1296 eV, correspond to Dy 3<span class='html-italic'>d</span><sub>5/2</sub> [<a href="#B39-crystals-14-00942" class="html-bibr">39</a>,<a href="#B40-crystals-14-00942" class="html-bibr">40</a>], suggesting that the Dy ions are in the +3 oxidation state.</div><div class='html-p'>The high-resolution XPS spectra of the Ti element in the D5/N5 and D10/N10 samples are shown in <a href="#crystals-14-00942-f004" class="html-fig">Figure 4</a>c. The XPS spectrum of the D5/N5 sample exhibits characteristic doublet peaks centered at 462.4 and 456.6 eV, which correspond to the Ti<sup>3+</sup> 2<span class='html-italic'>p</span><sub>1/2</sub> and Ti<sup>3+</sup> 2<span class='html-italic'>p</span><sub>3/2</sub> peaks, respectively. The binding energies of the Ti 2<span class='html-italic'>p</span><sub>1/2</sub> and Ti 2<span class='html-italic'>p</span><sub>3/2</sub> peaks and the energy separations between these peaks are listed in <a href="#app1-crystals-14-00942" class="html-app">Supplementary Table S2</a>. The high-resolution spectra of the Ti ions are deconvoluted to examine their oxidation states. The second set of doublet peaks corresponds to the oxidation state of Ti<sup>3+</sup> [<a href="#B30-crystals-14-00942" class="html-bibr">30</a>]. The Ti<sup>3+</sup> ions are formed by the partial reduction of Ti<sup>4+</sup> to Ti<sup>3+</sup> during sintering in a reducing atmosphere, compensating for the excess electrons introduced by the Dy/Nb co-doping. The relative amounts of the Ti<sup>3+</sup> and Ti<sup>4+</sup> ions can be estimated by calculating the ratio of each area of the Ti<sup>3+</sup> and Ti<sup>4+</sup> peaks to the total area of the Ti 2<span class='html-italic'>p</span><sub>1/2</sub> and Ti 2<span class='html-italic'>p</span><sub>3/2</sub> peaks. The relative amount of Ti<sup>3+</sup> increases with an increasing Dy/Nb concentration, reaching 12% and 20% for the D5/N5 and D10/N10 samples, respectively (<a href="#app1-crystals-14-00942" class="html-app">Supplementary Table S3</a>). These findings indicate that the Ti ions are in a mixed oxidation state (+3 and +4), with the major oxidation state being +4 [<a href="#B30-crystals-14-00942" class="html-bibr">30</a>,<a href="#B41-crystals-14-00942" class="html-bibr">41</a>,<a href="#B42-crystals-14-00942" class="html-bibr">42</a>,<a href="#B43-crystals-14-00942" class="html-bibr">43</a>,<a href="#B44-crystals-14-00942" class="html-bibr">44</a>,<a href="#B45-crystals-14-00942" class="html-bibr">45</a>,<a href="#B46-crystals-14-00942" class="html-bibr">46</a>]. The formation of trivalent Ti<sup>3+</sup> can generate additional electrons.</div><div class='html-p'>The high-resolution XPS spectra of the Nb element in the D5/N5 and D10/N10 samples are shown in <a href="#crystals-14-00942-f004" class="html-fig">Figure 4</a>d. The XPS spectra of Nb 3<span class='html-italic'>d</span> consist of Nb 3<span class='html-italic'>d</span><sub>5/2</sub> and Nb 3<span class='html-italic'>d</span><sub>3/2</sub> spin−orbit doublets [<a href="#B30-crystals-14-00942" class="html-bibr">30</a>]. In the D5/N5 sample, the binding energies of Nb<sup>4+</sup> 3<span class='html-italic'>d</span><sub>3/2</sub> and 3<span class='html-italic'>d</span><sub>5/2</sub> peaks are located at 208.5 and 205.7 eV, respectively, while those of Nb<sup>5+</sup> 3<span class='html-italic'>d</span><sub>3/2</sub> and 3<span class='html-italic'>d</span><sub>5/2</sub> peaks are located at 209.4 and 206.7 eV, respectively (<a href="#app1-crystals-14-00942" class="html-app">Supplementary Table S2</a>). The Nb ions exist as a mixture of Nb<sup>4+</sup> and Nb<sup>5+</sup>. The relative amounts of the Nb<sup>4+</sup> and Nb<sup>5+</sup> ions are presented in <a href="#app1-crystals-14-00942" class="html-app">Supplementary Table S3</a>. As the Dy/Nb concentration increases, the relative amount of Nb<sup>4+</sup> rises from 8% in the D5/N5 sample to 10% in the D10/N10 sample. The formation of both Ti<sup>3+</sup> and Nb<sup>4+</sup> ions in Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> can increase the electron concentration of the system, in accordance with the Kröger−Vink equations discussed previously in Equations (1) and (2), thereby enhancing electrical conductivity. The electrical conductivity (<span class='html-italic'>σ</span>) can be expressed as <span class='html-italic'>σ</span> = <span class='html-italic'>neμ</span>, where <span class='html-italic'>n</span> is the electron concentration, <span class='html-italic'>e</span> is the electronic charge, and <span class='html-italic'>μ</span> is the electron mobility. The electron concentration and electrical conductivity of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> are provided in our previous report [<a href="#B47-crystals-14-00942" class="html-bibr">47</a>].</div><div class='html-p'>The high-resolution XPS spectra of the O element in the D5/N5 and D10/N10 samples are shown in <a href="#crystals-14-00942-f004" class="html-fig">Figure 4</a>e. The O 1s spectra of the D5/N5 sample can be decomposed into two distinct peaks at 531.1 eV and 529.3 eV, which are associated with surface-adsorbed or non-lattice oxygen and lattice oxygen bonded with titanium (Ti−O), respectively [<a href="#B48-crystals-14-00942" class="html-bibr">48</a>,<a href="#B49-crystals-14-00942" class="html-bibr">49</a>]. The O 1s corresponds to an oxidation state of −2.</div><div class='html-p'>To investigate the optical band-gap energy of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10), the UV−Vis−NIR diffuse reflectance spectra are obtained, as shown in <a href="#crystals-14-00942-f005" class="html-fig">Figure 5</a>a. The diffuse reflectance substantially increases with increasing wavelength in the wavelength of 350 to 400 nm. It has been reported that SrTiO<sub>3</sub> is an indirect semiconductor [<a href="#B50-crystals-14-00942" class="html-bibr">50</a>,<a href="#B51-crystals-14-00942" class="html-bibr">51</a>]. Therefore, the band-gap energy (<span class='html-italic'>E</span><sub>g</sub>) of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> can be calculated using the relation (<span class='html-italic'>αhν</span>)<sup>1/2</sup> = <span class='html-italic'>A</span>(<span class='html-italic'>hν − E<sub>g</sub></span>) [<a href="#B52-crystals-14-00942" class="html-bibr">52</a>], where <span class='html-italic'>α</span> is the absorption coefficient, <span class='html-italic'>ν</span> is the photon frequency, <span class='html-italic'>h</span> is the Planck constant, <span class='html-italic'>E</span><sub>g</sub> is the optical band-gap energy, and <span class='html-italic'>A</span> is a proportionality constant. The band-gap energy (<span class='html-italic'>E</span><sub>g</sub>) of all the samples is obtained by extrapolating the linear part to (<span class='html-italic'>αhν</span>)<sup>1/2</sup> = 0, as represented in <a href="#crystals-14-00942-f005" class="html-fig">Figure 5</a>b. The band-gap energies slightly decrease with increasing Dy/Nb concentrations, e.g., 2.9 and 2.7 eV for the D5/N5 and D10/N10 samples, respectively (<a href="#crystals-14-00942-t003" class="html-table">Table 3</a>). Furthermore, the band-gap energies of the prepared Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> are smaller than those of previously reported pristine SrTiO<sub>3</sub> (~3.2 eV) [<a href="#B52-crystals-14-00942" class="html-bibr">52</a>,<a href="#B53-crystals-14-00942" class="html-bibr">53</a>]. The narrowing of band-gap energy is beneficial for enhancing the electron concentration due to the increased excitation of electrons from the valence to conduction band.</div></section><section id='sec4-crystals-14-00942' type='conclusions'><h2 data-nested='1'> 4. Conclusions</h2><div class='html-p'>Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10) samples were fabricated using cold compaction, followed by sintering in a (95% N<sub>2</sub> + 5% H<sub>2</sub>) reducing atmosphere. Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> had a tetragonal structure (<span class='html-italic'>I</span>4/<span class='html-italic'>mcm</span> space group). Ti ions in the sintered samples existed as a mixture of Ti<sup>3+</sup> and Ti<sup>4+</sup>, and Nb ions existed as a mixture of Nb<sup>4+</sup> and Nb<sup>5+</sup>. The major valences of Ti and Nb ions were +4 and +5, respectively. The incorporation of Ti and Nb ions into SrTiO<sub>3</sub> reduced the band-gap energies. The incorporation of Ti and Nb ions, the formation of both Ti<sup>3+</sup> and Nb<sup>4+</sup> ions, and the reduction in band-gap energies can effectively increase the electron concentration and its corresponding electrical conductivity. We believe that Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> with high electrical conductivity can be utilized in energy and electronics applications.</div></section> </div> <div class="html-back"> <section><section id='app1-crystals-14-00942' type=''><h2 data-nested='1'> Supplementary Materials</h2><div class='html-p'>The following supporting information can be downloaded at: <a href='https://www.mdpi.com/article/10.3390/cryst14110942/s1' target='_blank' rel="noopener noreferrer">https://www.mdpi.com/article/10.3390/cryst14110942/s1</a>, Figure S1: Crystal structures of the (a) D5/N5, (b) D5/N10, (c) D10/N5, and (d) D10/N10 samples.; Table S1: Atomic coordinate, thermal parameter Biso, and occupancy factor of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<sub>x</sub>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<sub>y</sub>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10); Table S2: Binding energies of the constituting elements (Sr, Dy, Ti, Nb, and O) in Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<sub>x</sub>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<sub>y</sub>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10). Table S3: Relative amounts of the Ti<sub>3+</sub>/Ti<sub>4+</sub> and the Nb<sub>4+/</sub>Nb<sub>5+</sub> in Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<sub>x</sub>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<sub>y</sub>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10).</div></section></section><section class='html-notes'><h2 >Author Contributions</h2><div class='html-p'>Conceptualization, D.K., S.G., E.-C.J. and K.P.; methodology, D.K. and S.G.; formal analysis, D.K.; investigation, S.G.; writing—original draft preparation, D.K. and K.P.; writing—review and editing, K.P.; supervision, E.-C.J.; project administration, K.P.; funding acquisition, E.-C.J. All authors have read and agreed to the published version of the manuscript.</div></section><section class='html-notes'><h2>Funding</h2><div class='html-p'>This work is financially supported by Korea Ministry of Environment (MOE) as Graduate School specialized in Climate Change.</div></section><section class='html-notes'><h2 >Data Availability Statement</h2><div class='html-p'>The original contributions presented in the study are included in the article/<a href="#app1-crystals-14-00942" class="html-app">Supplementary Materials</a>, further inquiries can be directed to the corresponding author/s.</div></section><section class='html-notes'><h2 >Conflicts of Interest</h2><div class='html-p'>The authors declare no conflict of interest.</div></section><section class="html-notes"><h2 style="font-family: Arial, Arial, Helvetica, sans-serif;">Correction Statement</h2><div class="html-p">This article has been republished with a minor correction regarding the format of Chemical Formulas. 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g001" data-lsrc="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g001-550.jpg" /> <a class="html-expand html-figpopup" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href="#fig_body_display_crystals-14-00942-f001"></a> </div> </div> <div class="html-fig_description"> <b>Figure 1.</b> SEM images from the fractured surfaces of the (<b>a</b>) D5/N5, (<b>b</b>) D5/N10, (<b>c</b>) D10/N5, and (<b>d</b>) D10/N10 samples.  </div> </div> <div class="html-fig_show mfp-hide" id="fig_body_display_crystals-14-00942-f001"> <div class="html-caption"> <b>Figure 1.</b> SEM images from the fractured surfaces of the (<b>a</b>) D5/N5, (<b>b</b>) D5/N10, (<b>c</b>) D10/N5, and (<b>d</b>) D10/N10 samples.</div> <div class="html-img"><img data-large="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g001.png" data-original="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g001.png" alt="Crystals 14 00942 g001" data-lsrc="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g001.png" /></div> </div> <div class="html-fig-wrap" id="crystals-14-00942-f002"> <div class='html-fig_img'> <div class="html-figpopup html-figpopup-link" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href="#fig_body_display_crystals-14-00942-f002"> <img data-large="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g002.png" data-original="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g002.png" alt="Crystals 14 00942 g002" data-lsrc="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g002-550.jpg" /> <a class="html-expand html-figpopup" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href="#fig_body_display_crystals-14-00942-f002"></a> </div> </div> <div class="html-fig_description"> <b>Figure 2.</b> XRD refinement profiles of the (<b>a</b>) D5/N5, (<b>b</b>) D5/N10, (<b>c</b>) D10/N5, and (<b>d</b>) D10/N10 samples.  </div> </div> <div class="html-fig_show mfp-hide" id="fig_body_display_crystals-14-00942-f002"> <div class="html-caption"> <b>Figure 2.</b> XRD refinement profiles of the (<b>a</b>) D5/N5, (<b>b</b>) D5/N10, (<b>c</b>) D10/N5, and (<b>d</b>) D10/N10 samples.</div> <div class="html-img"><img data-large="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g002.png" data-original="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g002.png" alt="Crystals 14 00942 g002" data-lsrc="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g002.png" /></div> </div> <div class="html-fig-wrap" id="crystals-14-00942-f003"> <div class='html-fig_img'> <div class="html-figpopup html-figpopup-link" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href="#fig_body_display_crystals-14-00942-f003"> <img data-large="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g003.png" data-original="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g003.png" alt="Crystals 14 00942 g003" data-lsrc="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g003-550.jpg" /> <a class="html-expand html-figpopup" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href="#fig_body_display_crystals-14-00942-f003"></a> </div> </div> <div class="html-fig_description"> <b>Figure 3.</b> XPS survey spectra of the (<b>a</b>) D5/N5 and (<b>b</b>) D10/N10 samples.  </div> </div> <div class="html-fig_show mfp-hide" id="fig_body_display_crystals-14-00942-f003"> <div class="html-caption"> <b>Figure 3.</b> XPS survey spectra of the (<b>a</b>) D5/N5 and (<b>b</b>) D10/N10 samples.</div> <div class="html-img"><img data-large="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g003.png" data-original="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g003.png" alt="Crystals 14 00942 g003" data-lsrc="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g003.png" /></div> </div> <div class="html-fig-wrap" id="crystals-14-00942-f004"> <div class='html-fig_img'> <div class="html-figpopup html-figpopup-link" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href="#fig_body_display_crystals-14-00942-f004"> <img data-large="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g004.png" data-original="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g004.png" alt="Crystals 14 00942 g004" data-lsrc="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g004-550.jpg" /> <a class="html-expand html-figpopup" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href="#fig_body_display_crystals-14-00942-f004"></a> </div> </div> <div class="html-fig_description"> <b>Figure 4.</b> High-resolution XPS spectra of the (<b>a</b>) Sr, (<b>b</b>) Dy, (<b>c</b>) Ti, (<b>d</b>) Nb, and (<b>e</b>) O elements in the D5/N5 and D10/N10 samples.  </div> </div> <div class="html-fig_show mfp-hide" id="fig_body_display_crystals-14-00942-f004"> <div class="html-caption"> <b>Figure 4.</b> High-resolution XPS spectra of the (<b>a</b>) Sr, (<b>b</b>) Dy, (<b>c</b>) Ti, (<b>d</b>) Nb, and (<b>e</b>) O elements in the D5/N5 and D10/N10 samples.</div> <div class="html-img"><img data-large="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g004.png" data-original="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g004.png" alt="Crystals 14 00942 g004" data-lsrc="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g004.png" /></div> </div> <div class="html-fig-wrap" id="crystals-14-00942-f005"> <div class='html-fig_img'> <div class="html-figpopup html-figpopup-link" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href="#fig_body_display_crystals-14-00942-f005"> <img data-large="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g005.png" data-original="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g005.png" alt="Crystals 14 00942 g005" data-lsrc="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g005-550.jpg" /> <a class="html-expand html-figpopup" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href="#fig_body_display_crystals-14-00942-f005"></a> </div> </div> <div class="html-fig_description"> <b>Figure 5.</b> (<b>a</b>) UV−Vis−NIR diffuse reflectance spectra and (<b>b</b>) relationship between (<span class='html-italic'>αhν</span>)<sup>1/2</sup> and photon energy (<span class='html-italic'>hν</span>) of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10).  </div> </div> <div class="html-fig_show mfp-hide" id="fig_body_display_crystals-14-00942-f005"> <div class="html-caption"> <b>Figure 5.</b> (<b>a</b>) UV−Vis−NIR diffuse reflectance spectra and (<b>b</b>) relationship between (<span class='html-italic'>αhν</span>)<sup>1/2</sup> and photon energy (<span class='html-italic'>hν</span>) of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10).</div> <div class="html-img"><img data-large="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g005.png" data-original="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g005.png" alt="Crystals 14 00942 g005" data-lsrc="/crystals/crystals-14-00942/article_deploy/html/images/crystals-14-00942-g005.png" /></div> </div> <div class="html-table-wrap" id="crystals-14-00942-t001"> <div class="html-table_wrap_td"> <div class="html-tablepopup html-tablepopup-link" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href='#table_body_display_crystals-14-00942-t001'> <img data-lsrc="https://pub.mdpi-res.com/img/table.png" /> <a class="html-expand html-tablepopup" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href="#table_body_display_crystals-14-00942-t001"></a> </div> </div> <div class="html-table_wrap_discription"> <b>Table 1.</b> Crystallographic data and reliability factors of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10). </div> </div> <div class="html-table_show mfp-hide " id="table_body_display_crystals-14-00942-t001"> <div class="html-caption"><b>Table 1.</b> Crystallographic data and reliability factors of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10).</div> <table > <thead ><tr ><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' > </th><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' >D5/N5 sample</th><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' >D5/N10 sample</th><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' >D10/N5 sample</th><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' >D10/N10 sample</th></tr></thead><tbody ><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Crystal structure</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Tetragonal</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Tetragonal</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Tetragonal</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Tetragonal</td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Space group</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' ><span class='html-italic'>I</span>4/<span class='html-italic'>mcm</span></td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' ><span class='html-italic'>I</span>4/<span class='html-italic'>mcm</span></td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' ><span class='html-italic'>I</span>4/<span class='html-italic'>mcm</span></td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' ><span class='html-italic'>I</span>4/<span class='html-italic'>mcm</span></td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Lattice parameter</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' > </td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' > </td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' > </td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' > </td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' ><span class='html-italic'>a</span> (Å)</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >5.5241</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >5.5352</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >5.5220</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >5.5336</td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' ><span class='html-italic'>c</span> (Å)</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >7.8243</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >7.8375</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >7.8241</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >7.8374</td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' ><span class='html-italic'>α</span> = <span class='html-italic'>β</span> = <span class='html-italic'>γ</span> (°)</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >90.0</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >90.0</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >90.0</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >90.0</td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Volume (Å<sup>3</sup>)</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >238.76</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >240.13</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >238.58</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >239.99</td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Reliability factor</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' > </td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' > </td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' > </td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' > </td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' ><span class='html-italic'>R</span><sub>exp</sub> (%)</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >7.14</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >6.23</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >7.77</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >6.29</td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' ><span class='html-italic'>R</span><sub>exp</sub> (%)</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >4.17</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >4.19</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >4.45</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >4.41</td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' ><span class='html-italic'>χ</span><sup>2</sup></td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.94</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.21</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >3.05</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.03</td></tr></tbody> </table> </div> <div class="html-table-wrap" id="crystals-14-00942-t002"> <div class="html-table_wrap_td"> <div class="html-tablepopup html-tablepopup-link" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href='#table_body_display_crystals-14-00942-t002'> <img data-lsrc="https://pub.mdpi-res.com/img/table.png" /> <a class="html-expand html-tablepopup" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href="#table_body_display_crystals-14-00942-t002"></a> </div> </div> <div class="html-table_wrap_discription"> <b>Table 2.</b> Bond distances between the constituting atoms in Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10). </div> </div> <div class="html-table_show mfp-hide " id="table_body_display_crystals-14-00942-t002"> <div class="html-caption"><b>Table 2.</b> Bond distances between the constituting atoms in Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10).</div> <table > <thead ><tr ><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' > </th><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' >D5/N5 sample</th><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' >D5/N10 sample</th><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' >D10/N5 sample</th><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' >D10/N10 sample</th></tr></thead><tbody ><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Sr−O(1) distance (Å)</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.6458</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.6630</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.6139</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.6522</td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Sr−O(2) distance (Å)</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.7620</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.7676</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.7610</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.7668</td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Ti−O(1) distance (Å)</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >1.9561</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >1.9594</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >1.9560</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >1.9645</td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Ti−O(2) distance (Å)</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >1.9606</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >1.9630</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >1.9645</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >1.9637</td></tr><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Ti−Ti distance (Å)</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >3.9061</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >3.9140</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >3.9046</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >3.9128</td></tr></tbody> </table> </div> <div class="html-table-wrap" id="crystals-14-00942-t003"> <div class="html-table_wrap_td"> <div class="html-tablepopup html-tablepopup-link" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href='#table_body_display_crystals-14-00942-t003'> <img data-lsrc="https://pub.mdpi-res.com/img/table.png" /> <a class="html-expand html-tablepopup" data-counterslinkmanual = "https://www.mdpi.com/2073-4352/14/11/942/display" href="#table_body_display_crystals-14-00942-t003"></a> </div> </div> <div class="html-table_wrap_discription"> <b>Table 3.</b> Band-gap energy of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10). </div> </div> <div class="html-table_show mfp-hide " id="table_body_display_crystals-14-00942-t003"> <div class="html-caption"><b>Table 3.</b> Band-gap energy of Sr<sub>1−<span class='html-italic'>x</span></sub>Dy<span class='html-italic'><sub>x</sub></span>Ti<sub>1−<span class='html-italic'>y</span></sub>Nb<span class='html-italic'><sub>y</sub></span>O<sub>3−<span class='html-italic'>δ</span></sub> (0.05 ≤ <span class='html-italic'>x</span>, <span class='html-italic'>y</span> ≤ 0.10).</div> <table > <thead ><tr ><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' > </th><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' >D5/N5 sample</th><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' >D5/N10 sample</th><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' >D10/N5 sample</th><th align='center' valign='middle' style='border-top:solid thin;border-bottom:solid thin' class='html-align-center' >D10/N10 sample</th></tr></thead><tbody ><tr ><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >Band-gap energy (eV)</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.9</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.8</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.8</td><td align='center' valign='middle' style='border-bottom:solid thin' class='html-align-center' >2.7</td></tr></tbody> </table> </div> </section><section class='html-fn_group'><table><tr id=''><td></td><td><div 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Structural and Optical Properties of SrTiO<sub>3</sub>-Based Ceramics for Energy and Electronics Applications. <em>Crystals</em> <b>2024</b>, <em>14</em>, 942. https://doi.org/10.3390/cryst14110942 </p> <div style="display: block"> <b>AMA Style</b><br> <p> Kim D, Gwon S, Park K, Jeon E-C. Structural and Optical Properties of SrTiO<sub>3</sub>-Based Ceramics for Energy and Electronics Applications. <em>Crystals</em>. 2024; 14(11):942. https://doi.org/10.3390/cryst14110942 </p> <b>Chicago/Turabian Style</b><br> <p> Kim, Donghoon, Soyeon Gwon, Kyeongsoon Park, and Eui-Chan Jeon. 2024. "Structural and Optical Properties of SrTiO<sub>3</sub>-Based Ceramics for Energy and Electronics Applications" <em>Crystals</em> 14, no. 11: 942. https://doi.org/10.3390/cryst14110942 </p> <b>APA Style</b><br> <p> Kim, D., Gwon, S., Park, K., & Jeon, E.-C. (2024). Structural and Optical Properties of SrTiO<sub>3</sub>-Based Ceramics for Energy and Electronics Applications. <em>Crystals</em>, <em>14</em>(11), 942. https://doi.org/10.3390/cryst14110942 </p> </div> </div> <div class="info-box no-margin"> Note that from the first issue of 2016, this journal uses article numbers instead of page numbers. 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Structural and Optical Properties of SrTiO<sub>3</sub>-Based Ceramics for Energy and Electronics Applications. <em>Crystals</em> <b>2024</b>, <em>14</em>, 942. https://doi.org/10.3390/cryst14110942 </p> <div style="display: block"> <b>AMA Style</b><br> <p> Kim D, Gwon S, Park K, Jeon E-C. Structural and Optical Properties of SrTiO<sub>3</sub>-Based Ceramics for Energy and Electronics Applications. <em>Crystals</em>. 2024; 14(11):942. https://doi.org/10.3390/cryst14110942 </p> <b>Chicago/Turabian Style</b><br> <p> Kim, Donghoon, Soyeon Gwon, Kyeongsoon Park, and Eui-Chan Jeon. 2024. "Structural and Optical Properties of SrTiO<sub>3</sub>-Based Ceramics for Energy and Electronics Applications" <em>Crystals</em> 14, no. 11: 942. https://doi.org/10.3390/cryst14110942 </p> <b>APA Style</b><br> <p> Kim, D., Gwon, S., Park, K., & Jeon, E.-C. (2024). Structural and Optical Properties of SrTiO<sub>3</sub>-Based Ceramics for Energy and Electronics Applications. <em>Crystals</em>, <em>14</em>(11), 942. https://doi.org/10.3390/cryst14110942 </p> </div> </div> <div class="info-box no-margin"> Note that from the first issue of 2016, this journal uses article numbers instead of page numbers. 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Structural and Optical Properties of SrTiO3-Based Ceramics for Energy and Electronics Applications