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DC Field | Value | Language |
---|---|---|
dc.citation.endPage | 5613 | - |
dc.citation.number | 12 | - |
dc.citation.startPage | 5606 | - |
dc.citation.title | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | - |
dc.citation.volume | 144 | - |
dc.contributor.author | Ding, Li Ping | - |
dc.contributor.author | McLean, Ben | - |
dc.contributor.author | Xu, Ziwei | - |
dc.contributor.author | Kong, Xiao | - |
dc.contributor.author | Hedman, Daniel | - |
dc.contributor.author | Qiu, Lu | - |
dc.contributor.author | Page, Alister J. | - |
dc.contributor.author | Ding, Feng | - |
dc.date.accessioned | 2023-12-21T14:22:02Z | - |
dc.date.available | 2023-12-21T14:22:02Z | - |
dc.date.created | 2022-06-08 | - |
dc.date.issued | 2022-03 | - |
dc.description.abstract | Despite three decades of intense research efforts, the most fundamental question "why do carbon nanotubes grow?" remains unanswered. In fact, carbon nanotubes (CNTs) should not grow since the encapsulation of a catalyst with graphitic carbon is energetically more favorable than CNT growth in every aspect. Here, we answer this question using a theoretical model based on extensive first-principles and molecular dynamics calculations. We reveal a historically overlooked yet fundamental aspect of the CNT-catalyst interface, viz., that the interfacial energy of the CNT-catalyst edge is contact angle-dependent. The contact angle increases via graphitic cap lift-off, drastically decreasing the interfacial formation energy by up to 6-9 eV/nm, overcoming van der Waals cap-catalyst adhesion, and driving CNT growth. Mapping this remarkable and simple interplay allows us to understand, for the first time, why CNTs grow. | - |
dc.identifier.bibliographicCitation | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.144, no.12, pp.5606 - 5613 | - |
dc.identifier.doi | 10.1021/jacs.2c00879 | - |
dc.identifier.issn | 0002-7863 | - |
dc.identifier.scopusid | 2-s2.0-85127436420 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/59019 | - |
dc.identifier.url | https://pubs.acs.org/doi/10.1021/jacs.2c00879 | - |
dc.identifier.wosid | 000799109400048 | - |
dc.language | 영어 | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.title | Why Carbon Nanotubes Grow | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordPlus | CATALYST PARTICLE | - |
dc.subject.keywordPlus | SIMULATION | - |
dc.subject.keywordPlus | NUCLEATION | - |
dc.subject.keywordPlus | SIZE | - |
dc.subject.keywordPlus | DIAMETER | - |
dc.subject.keywordPlus | DYNAMICS | - |
dc.subject.keywordPlus | DRIVEN | - |
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