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Ding, Feng
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dc.citation.endPage 11093 -
dc.citation.number 20 -
dc.citation.startPage 11086 -
dc.citation.title JOURNAL OF PHYSICAL CHEMISTRY C -
dc.citation.volume 119 -
dc.contributor.author Gao, Junfeng -
dc.contributor.author Ding, Feng -
dc.date.accessioned 2023-12-22T01:12:31Z -
dc.date.available 2023-12-22T01:12:31Z -
dc.date.created 2020-03-01 -
dc.date.issued 2015-05 -
dc.description.abstract Recent theoretical and experimental explorations have indicated that magic-sized clusters C-21 and/or C-21-3C play an important role in graphene chemical vapor deposition growth on both Ru(0001) and Rh(111) surfaces. However, the evolution and stability of these clusters under various conditions are not clear. Here we systemically investigated the stability and phase diagram of the probable C-21, C-21-3C, and 7-6MR clusters and their related polycyclic hydrocarbon clusters on the two metal surfaces. Taking temperature and the chemical potential of ambient H atom into account yielded phase diagrams that agree well with experimental observations. -
dc.identifier.bibliographicCitation JOURNAL OF PHYSICAL CHEMISTRY C, v.119, no.20, pp.11086 - 11093 -
dc.identifier.doi 10.1021/jp5118536 -
dc.identifier.issn 1932-7447 -
dc.identifier.scopusid 2-s2.0-84930226386 -
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/31259 -
dc.identifier.url https://pubs.acs.org/doi/10.1021/jp5118536 -
dc.identifier.wosid 000355158400037 -
dc.language 영어 -
dc.publisher AMER CHEMICAL SOC -
dc.title First-Principles Phase Diagram of Magic-Sized Carbon Clusters on Ru(0001) and Rh(111) Surfaces -
dc.type Article -
dc.description.isOpenAccess FALSE -
dc.relation.journalWebOfScienceCategory Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary -
dc.relation.journalResearchArea Chemistry; Science & Technology - Other Topics; Materials Science -
dc.type.docType Article; Proceedings Paper -
dc.description.journalRegisteredClass scie -
dc.description.journalRegisteredClass scopus -
dc.subject.keywordPlus VAPOR-DEPOSITION GROWTH -
dc.subject.keywordPlus TOTAL-ENERGY CALCULATIONS -
dc.subject.keywordPlus AB-INITIO -
dc.subject.keywordPlus GRAPHENE OXIDE -
dc.subject.keywordPlus THERMAL-CONDUCTIVITY -
dc.subject.keywordPlus CVD GRAPHENE -
dc.subject.keywordPlus HYDROGEN -
dc.subject.keywordPlus TRANSPARENT -
dc.subject.keywordPlus NUCLEATION -
dc.subject.keywordPlus STABILITY -

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