https://m2.mtmt.hu/ eng 2026-09-23 01:41 JournalArticle 35665721 VALIDATED true 0 false 2026-09-16T08:26:53.259+0000 2026-02-19T09:40:22.485+0000 2025-01-07T03:26:33.827+0000 true 10014559 Bolgár Andrea /api/admin/10014559 Admin true 10014559 2026-02-19T09:40:22.907+0000 2026-02-19T09:40:22.907+0000 2026-01-07T11:34:41.709+0000 true 10014559 Bolgár Andrea /api/admin/10014559 Admin true 10014559 Admin 10013962 /api/admin/10013962 Vasvari Lilian true 10013962 true 2026-05-16T19:37:40.433+0000 true false true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle true 10000059 Article true 24 24 /api/publicationtype/24 PublicationType 1 true 24 JournalArticle /api/subtype/10000059 Szakcikk SubType 101 true 10000059 true 1 /api/category/1 Category true 1 Albert, Emőke Experimental and Computational Synthesis of TiO2 Sol–Gel Coatings true true /api/journal/3018 REVIEWED true false 3018 false 3018 true 0743-7463 1520-5827 Journal FOREIGN 41 1 704 718 704 15 2025 During the experimental formation of sol–gel coatings, the colloid dispersions go through a drying process, and the structure of the coatings is formed as a result of complex chemical, colloidal, and capillary interactions. While computer simulations provide guidelines to tune and even design the nanomaterials synthesis, simulations of coating structure formation are hitherto unknown in the literature. Based on real experiments, we establish here a ReaxFF reactive force field-based molecular dynamics simulation protocol in order to investigate and determine the role of the experimental conditions on the pore structure formation in the coatings. Anatase TiO2 sol–gel coatings with a thickness of 50 nm, 7% open porosity, and a 2.4 nm pore radius were prepared on solid substrates using the dip-coating method. In the computational synthesis of porous TiO2 layers, the attractive capillary forces present during the drying step were accounted for by applying an external pressure, and their effect on the coatings’ pore structure was investigated. It was found that the TiO2 layer structure corresponding to an external pressure of 10,000 atm in the simulations exhibited a porosity comparable to that determined by experimental methods. This demonstrates the impact of immersion capillary forces on sol–gel layer formation. 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2417528709712357149 http://scholar.Google.com/scholar?hl=en&lr=&cluster=2417528709712357149 false true Classification 11423 /api/classification/11423 true true Classification 10293 /api/classification/10293 true true Classification 10001 /api/classification/10001 true true SjrRating 11569563 /api/sjrrating/11569563 100 0.24 journal RatingType 10002 /api/ratingtype/10002 sjr true true ClassificationExternal 3104 /api/classificationexternal/3104 true 3104 true Q1 DIRECT true true /api/publication/35665721 <div class="JournalArticle Publication long-list"> <div class="authors"> <img title="Forrásközlemény" style="float: left" src="/frontend/resources/grid/publication-core-icon.png"> <img title="Idézőközlemény" style="float: left" src="/frontend/resources/grid/publication-citation-icon.png"> <div class="autype autype0"> <span class="author-name" mtid="10042656"><a href="/gui2/?type=authors&mode=browse&sel=10042656" target="_blank">Albert Emőke (<span class="authorship-author-name">Nagyné Albert Emőke</span> <span class="authorAux-mtmt"> Kolloid- és határfelületi kémia</span>) </a> </span> <span class="author-affil"><span title="Budapest University of Technology and Economics">BUTE</span>/<span title="Faculty of Chemical Technology and Biotechnology">FCTB</span>/Department of Physical Chemistry and Material Science</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10002818"><a href="/gui2/?type=authors&mode=browse&sel=10002818" target="_blank">Basa Péter (<span class="authorship-author-name">Basa Péter</span> <span class="authorAux-mtmt"> Szilárdtestfizika, anyagtudomány</span>) </a> </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10025991"><a href="/gui2/?type=authors&mode=browse&sel=10025991" target="_blank">Fodor Bálint (<span class="authorship-author-name">Fodor Bálint</span> <span class="authorAux-mtmt"> anyagtudomány, ellipszometria</span>) </a> </span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10014677"><a href="/gui2/?type=authors&mode=browse&sel=10014677" target="_blank">Keresztes Zsófia (<span class="authorship-author-name">Keresztes Zsófia</span> <span class="authorAux-mtmt"> felületkémia, elektrokémia</span>) </a> </span> <span class="author-affil"><span title="HUN-REN Research Centre for Natural Sciences">HUN-REN RCNS</span>/Institute of Materials and Environmental Chemistry; <span title="HUN-REN Research Centre for Natural Sciences">HUN-REN RCNS</span>/<span title="Institute of Materials and Environmental Chemistry">IMEC</span>/Functional Interfaces</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10002580"><a href="/gui2/?type=authors&mode=browse&sel=10002580" target="_blank">Madarász János (<span class="authorship-author-name">Madarász János</span> <span class="authorAux-mtmt"> Analitikai kémia</span>) </a> </span> <span class="author-affil"><span title="Budapest University of Technology and Economics">BUTE</span>/<span title="Faculty of Chemical Technology and Biotechnology">FCTB</span>/Department of Inorganic and Analytical Chemistry</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10074945"><a href="/gui2/?type=authors&mode=browse&sel=10074945" target="_blank">Márton Péter (<span class="authorship-author-name">Márton Péter</span> <span class="authorAux-mtmt"> Kolloid- és határfelületi kémia</span>) </a> </span> <span class="author-affil"><span title="Budapest University of Technology and Economics">BUTE</span>/<span title="Faculty of Chemical Technology and Biotechnology">FCTB</span>/Department of Physical Chemistry and Material Science</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10079212"><a href="/gui2/?type=authors&mode=browse&sel=10079212" target="_blank">Olasz Dániel (<span class="authorship-author-name">Olasz Dániel</span> <span class="authorAux-mtmt"> Anyagtudomány</span>) </a> </span> <span class="author-affil"><span title="HUN-REN Centre for Energy Research">HUN-REN CER</span>/Institute of Technical Physics and Materials Science; <span title="HUN-REN Centre for Energy Research">HUN-REN CER</span>/<span title="Institute of Technical Physics and Materials Science">MFA</span>/Vékonyrétegfizika Laboratórium</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10062074"><a href="/gui2/?type=authors&mode=browse&sel=10062074" target="_blank">Rácz Adél Sarolta (<span class="authorship-author-name">Rácz Adél Sarolta</span> <span class="authorAux-mtmt"> felületanalitika, vékonyréteg, anyagtudomány</span>) </a> </span> <span class="author-affil"><span title="HUN-REN Centre for Energy Research">HUN-REN CER</span>/<span title="Institute of Technical Physics and Materials Science">MFA</span>/Vékonyrétegfizika Laboratórium</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10002041"><a href="/gui2/?type=authors&mode=browse&sel=10002041" target="_blank">Sáfrán György (<span class="authorship-author-name">Sáfrán György</span> <span class="authorAux-mtmt"> Vékonyrétegfizika</span>) </a> </span> <span class="author-affil"><span title="HUN-REN Centre for Energy Research">HUN-REN CER</span>/<span title="Institute of Technical Physics and Materials Science">MFA</span>/Vékonyrétegfizika Laboratórium</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10017589"><a href="/gui2/?type=authors&mode=browse&sel=10017589" target="_blank">Szabó Tamás (<span class="authorship-author-name">Szabó Tamás</span> <span class="authorAux-mtmt"> mikrokapszulázás</span>) </a> </span> <span class="author-affil"><span title="HUN-REN Research Centre for Natural Sciences">HUN-REN RCNS</span>/Institute of Materials and Environmental Chemistry; <span title="HUN-REN Research Centre for Natural Sciences">HUN-REN RCNS</span>/<span title="Institute of Materials and Environmental Chemistry">IMEC</span>/Functional Interfaces</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10049608"><a href="/gui2/?type=authors&mode=browse&sel=10049608" target="_blank">Tegze Borbála (<span class="authorship-author-name">Tegze Borbála Ágnes</span> <span class="authorAux-mtmt"> fizikai kémia</span>) </a> </span> <span class="author-affil"><span title="Budapest University of Technology and Economics">BUTE</span>/<span title="Faculty of Chemical Technology and Biotechnology">FCTB</span>/Department of Physical Chemistry and Material Science</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10034879"><a href="/gui2/?type=authors&mode=browse&sel=10034879" target="_blank">Höltzl Tibor ✉ (<span class="authorship-author-name">Höltzl Tibor</span> <span class="authorAux-mtmt"> Kémia, nanotechnológia</span>) </a> </span> <span class="author-affil"><span title="Budapest University of Technology and Economics">BUTE</span>/<span title="Faculty of Chemical Technology and Biotechnology">FCTB</span>/<span title="Department of Inorganic and Analytical Chemistry">DIAC</span>/HUN-REN-BME Computation Driven Chemistry Research Group; <span title="Budapest University of Technology and Economics">BUTE</span>/<span title="Faculty of Chemical Technology and Biotechnology">FCTB</span>/Department of Inorganic and Analytical Chemistry</span> ;&nbsp;&nbsp;&nbsp; <span class="author-name" mtid="10001237"><a href="/gui2/?type=authors&mode=browse&sel=10001237" target="_blank">Hórvölgyi Zoltán ✉ (<span class="authorship-author-name">Hórvölgyi Zoltán</span> <span class="authorAux-mtmt"> Kolloid- és határfelületi kémia</span>) </a> </span> <span class="author-affil"><span title="Budapest University of Technology and Economics">BUTE</span>/<span title="Faculty of Chemical Technology and Biotechnology">FCTB</span>/Department of Physical Chemistry and Material Science</span> </div> </div> <div class="title"><a href="/gui2/?mode=browse&params=publication;35665721" target="_blank">Experimental and Computational Synthesis of TiO2 Sol–Gel Coatings</a></div> <div> <span class="journal-title">LANGMUIR</span> <span class="journal-issn">(<a target="_blank" href="https://portal.issn.org/resource/ISSN/0743-7463">0743-7463</a> <a target="_blank" href="https://portal.issn.org/resource/ISSN/1520-5827">1520-5827</a>)</span>: <span class="journal-volume">41</span> <span class="journal-issue">1</span> <span class="page"> pp 704-718 </span> <span class="year">(2025)</span> </div> <div class="pub-footer"> <span class="language" xmlns="http://www.w3.org/1999/html">Language: English | </span> <span class="identifiers"> <span class="id identifier oa_GOLD" title=" Gold "> <a style="color:blue" title="10.1021/acs.langmuir.4c03959" target="_blank" href="https://doi.org/10.1021/acs.langmuir.4c03959"> DOI </a> </span> <span class="id identifier oa_GREEN" title=" Green "> <a style="color:blue" title="212929" target="_blank" href="https://real.mtak.hu/212929"> REAL </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="001388693900001" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/001388693900001"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="85215099158" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-85215099158"> Scopus </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="39745017" target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=PubMed&list_uids=39745017&dopt=Abstract"> PubMed </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="2417528709712357149" target="_blank" href="http://scholar.Google.com/scholar?hl=en&lr=&cluster=2417528709712357149"> Google scholar </a> </span> </span> <OnlyViewableByAuthor><div class="ratings"> <div class="journal-subject">Journal subject: Scopus - Condensed Matter Physics&nbsp;&nbsp;&nbsp;Rank:&nbsp;Q1</div> <div class="journal-subject">Journal subject: Scopus - Spectroscopy&nbsp;&nbsp;&nbsp;Rank:&nbsp;Q1</div> <div class="journal-subject">Journal subject: Scopus - Electrochemistry&nbsp;&nbsp;&nbsp;Rank:&nbsp;Q2</div> <div class="journal-subject">Journal subject: Scopus - Materials Science (miscellaneous)&nbsp;&nbsp;&nbsp;Rank:&nbsp;Q2</div> <div class="journal-subject">Journal subject: Scopus - Medicine (miscellaneous)&nbsp;&nbsp;&nbsp;Rank:&nbsp;Q2</div> <div class="journal-subject">Journal subject: Scopus - Surfaces and Interfaces&nbsp;&nbsp;&nbsp;Rank:&nbsp;Q2</div> </div></OnlyViewableByAuthor> <div class="publication-citation" style="margin-left: 0.5cm;"> <span title="" class="citingPub-count">Citing papers: 18</span> | Independent citation: 13 | Self citation: 5 | Unknown citation: 0 | Number of citations in WoS: 10 | Number of citations in Scopus:&nbsp;8 | WoS/Scopus assigned:&nbsp;10 | Number of citations with DOI:&nbsp;16 </div> <div class="publication-citation"> <a target="_blank" href="/api/publication?cond=citations.related;eq;35665721&sort=publishedYear,desc&sort=title"> Number of cited publications: 10 </a> </div> <div class="mtid"><span class="long-pub-mtid">Publication: 35665721</span> | <span class="status-data status-VALIDATED"> Validated </span> Core Citing | <span class="type-subtype">Journal Article ( Article ) </span> | <span class="pub-category">Scientific</span> | <span class="publication-sourceOfData">RIS-Egyéb</span> </div> <div class="lastModified">Last Modified: 2026.02.19. 10:40 Andrea Bolgár (MFA admin 4) </div> <div class="lockedBy">Centrally managed 2026.05.16. 21:37 Lilian Vasvari (MTMT Központ, admin) </div> </div></div>