{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,21]],"date-time":"2026-10-21T17:17:25Z","timestamp":1792603045593,"version":"4.5.0"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"6","license":[{"start":{"date-parts":[[2025,11,10]],"date-time":"2025-11-10T00:00:00Z","timestamp":1762732800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2025,11,10]],"date-time":"2025-11-10T00:00:00Z","timestamp":1762732800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"funder":[{"DOI":"10.13039\/501100004586","name":"Funda\u00e7\u00e3o Carlos Chagas Filho de Amparo \u00e0 Pesquisa do Estado do Rio de Janeiro","doi-asserted-by":"publisher","award":["SEI-260003\/002235\/2022 and 260003\/001582\/2022"],"award-info":[{"award-number":["SEI-260003\/002235\/2022 and 260003\/001582\/2022"]}],"id":[{"id":"10.13039\/501100004586","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","doi-asserted-by":"publisher","award":["001"],"award-info":[{"award-number":["001"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr B Struct Sci Cryst Eng Mater","Acta Crystallogr B","Acta Crystallogr B Struct Sci","Acta Cryst B","Acta Cryst B Struct Sci Cryst Eng Mater","Acta Cryst Sect B","Acta Cryst Sect B Struct Sci Cryst Eng Mater","Acta Crystallogr Sect B","Acta Crystallogr Sect B Struct Sci Cryst Eng Mater","Acta Crystallogr Sect B Struct Sci"],"accepted":{"date-parts":[[2025,10,20]]},"published-print":{"date-parts":[[2025,12,1]]},"abstract":"<jats:p>\n                    The interaction of silicene with MoS\n                    <jats:sub>2<\/jats:sub>\n                    surfaces has an important role in determining many properties of these systems. However, the intricate nature of silicene-based systems presents significant challenges for both experimental and computational investigations, often resulting in conflicting reports in the literature. Using molecular dynamics simulations with hybrid potentials, this work investigates the epitaxial growth of silicene on an MoS\n                    <jats:sub>2<\/jats:sub>\n                    substrate using a vapor-deposition-like method. The findings reveal that silicene can achieve stability on an MoS\n                    <jats:sub>2<\/jats:sub>\n                    substrate in an\n                    <jats:italic>AB<\/jats:italic>\n                    low-buckled configuration when both van der Waals and covalent interactions are considered. In this configuration, the silicene layer exhibits numerous defects, which can be significantly reduced by increasing the substrate temperature. In contrast, when only van der Waals interactions are accounted for, the system becomes unstable, leading to the collapse of the silicene structure into a three-dimensional disordered arrangement of Si atoms. A similar instability is observed in a heterostructure where a silicene sheet is intercalated between two MoS\n                    <jats:sub>2<\/jats:sub>\n                    layers. These results, combined with the lattice mismatch observed between silicene and MoS\n                    <jats:sub>2<\/jats:sub>\n                    , suggest that van der Waals interactions alone are insufficient to ensure the mechanical stability of silicene.\n                  <\/jats:p>","DOI":"10.1107\/s2052520625009187","type":"journal-article","created":{"date-parts":[[2025,11,12]],"date-time":"2025-11-12T13:52:59Z","timestamp":1762955579000},"page":"533-539","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":2,"title":["Unveiling the structure and interactions of silicene grown on MoS\n                    <sub>2<\/sub>\n                    : insights from hybrid molecular dynamics simulations"],"prefix":"10.1107","volume":"81","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6416-2138","authenticated-orcid":true,"given":"Alexandre Melhorance","family":"Barboza","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/0198v2949","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Luis C\u00e9sar Rodr\u00edguez","family":"Aliaga","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/0198v2949","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daiara Fernandes","family":"de Faria","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/0198v2949","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7611-300X","authenticated-orcid":true,"given":"Ivan Napole\u00e3o","family":"Bastos","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/0198v2949","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2025,11,10]]},"container-title":["Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials"],"original-title":[],"link":[{"URL":"https:\/\/journals.iucr.org\/b\/issues\/2025\/06\/00\/yv5025\/yv5025.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/b\/issues\/2025\/06\/00\/yv5025\/yv5025.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,12,17]],"date-time":"2025-12-17T11:49:55Z","timestamp":1765972195000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2052520625009187"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,11,10]]},"references-count":0,"journal-issue":{"issue":"6","published-online":{"date-parts":[[2025,12]]}},"alternative-id":["S2052520625009187"],"URL":"https:\/\/doi.org\/10.1107\/s2052520625009187","relation":{},"ISSN":["2052-5206"],"issn-type":[{"value":"2052-5206","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,11,10]]},"assertion":[{"value":"Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials","order":0,"name":"journal","label":"Publication","explanation":{"URL":"https:\/\/journals.iucr.org\/b"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/b\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"https:\/\/scripts.iucr.org\/cgi-bin\/citedin?yv5025","order":2,"name":"article_metrics","label":"Article metrics","group":{"name":"general","label":"General"}},{"value":"Yes","order":0,"name":"peer_reviewed","label":"Peer reviewed","group":{"name":"peer_review","label":"Peer review"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review process","group":{"name":"peer_review","label":"Peer review"}},{"value":"29 April 2025","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"20 October 2025","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"10 November 2025","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"\u00a9 2025 Alexandre Melhorance Barboza\n                      et al.","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}},{"value":"Creative Commons Attribution (CC-BY)","order":1,"name":"license","label":"Licence","explanation":{"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}}]}}