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DC Field | Value | Language |
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dc.citation.endPage | 15 | - |
dc.citation.number | 1 | - |
dc.citation.startPage | 1 | - |
dc.citation.title | JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE | - |
dc.citation.volume | 6 | - |
dc.contributor.author | Bolton, Kim | - |
dc.contributor.author | Ding, Feng | - |
dc.contributor.author | Borjesson, Anders | - |
dc.contributor.author | Zhu, Wuming | - |
dc.contributor.author | Duan, Haiming | - |
dc.contributor.author | Rosen, Arne | - |
dc.contributor.author | Harutyunyan, Avetik R. | - |
dc.contributor.author | Curtarolo, Stefano | - |
dc.date.accessioned | 2023-12-22T08:10:30Z | - |
dc.date.available | 2023-12-22T08:10:30Z | - |
dc.date.created | 2020-03-04 | - |
dc.date.issued | 2009-01 | - |
dc.description.abstract | We review our computational studies of the melting temperatures and mechanisms of iron and iron-carbide clusters. Both isolated and supported clusters have been considered, and substrates with different shapes or pores have been simulated. It has been seen, for example, that the surface curvature-or local surface curvature-of the particle plays a dominant role in the melting mechanism and temperature. It has also been observed that the melting mechanism for small clusters is different to that of larger clusters. | - |
dc.identifier.bibliographicCitation | JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, v.6, no.1, pp.1 - 15 | - |
dc.identifier.doi | 10.1166/jctn.2009.1001 | - |
dc.identifier.issn | 1546-1955 | - |
dc.identifier.scopusid | 2-s2.0-67149107171 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/31402 | - |
dc.identifier.url | https://www.ingentaconnect.com/content/asp/jctn/2009/00000006/00000001/art00001 | - |
dc.identifier.wosid | 000263422800001 | - |
dc.language | 영어 | - |
dc.publisher | AMER SCIENTIFIC PUBLISHERS | - |
dc.title | Computational Studies of Catalytic Particles for Carbon Nanotube Growth | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter | - |
dc.relation.journalResearchArea | Chemistry; Science & Technology - Other Topics; Materials Science; Physics | - |
dc.type.docType | Review | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | Cluster | - |
dc.subject.keywordAuthor | Melting | - |
dc.subject.keywordAuthor | Carbon Nanotubes | - |
dc.subject.keywordAuthor | Simulations | - |
dc.subject.keywordPlus | CHEMICAL-VAPOR-DEPOSITION | - |
dc.subject.keywordPlus | MOLECULAR-DYNAMICS SIMULATION | - |
dc.subject.keywordPlus | DIAMETER-CONTROLLED SYNTHESIS | - |
dc.subject.keywordPlus | TOTAL-ENERGY CALCULATIONS | - |
dc.subject.keywordPlus | MELTING-POINT DEPRESSION | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | SWNT GROWTH | - |
dc.subject.keywordPlus | VIBRATIONAL ANALYSIS | - |
dc.subject.keywordPlus | SIZE DEPENDENCE | - |
dc.subject.keywordPlus | CVD SYNTHESIS | - |
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