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DC Field | Value | Language |
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dc.citation.endPage | 11757 | - |
dc.citation.number | 27 | - |
dc.citation.startPage | 11753 | - |
dc.citation.title | JOURNAL OF PHYSICAL CHEMISTRY C | - |
dc.citation.volume | 114 | - |
dc.contributor.author | Wu, Guangfen | - |
dc.contributor.author | Wang, Jinlan | - |
dc.contributor.author | Zeng, Xiao Cheng | - |
dc.contributor.author | Hu, Hong | - |
dc.contributor.author | Ding, Feng | - |
dc.date.accessioned | 2023-12-22T07:06:43Z | - |
dc.date.available | 2023-12-22T07:06:43Z | - |
dc.date.created | 2020-03-04 | - |
dc.date.issued | 2010-07 | - |
dc.description.abstract | We systematically studied effects of selective hydrogenation of single-walled carbon nanotube (SWNT) on the shape of tube cross section based on a mechanical relaxation model and ab initio calculations. We found that fully hydrogenated SWNTs (FH-SWNTs) are energetically more favorable than partially hydrogenated ones. We uncovered a new channel for the strain relaxation at the nanoscale, in contrast to the known plasticity or buckling channel. We showed that the curvature strain energy of a cylindrical FH-SWNT can be significantly relieved by flipping a few rows of H atoms from outside to inside of the tube. We conclude that selective hydrogenation of SWNTs not only can be an effective way to achieve highly stable configurations of FH-SWNTs but also can be used to control the shape of tube cross section (triangle, square, etc.) for nanomechanic applications. | - |
dc.identifier.bibliographicCitation | JOURNAL OF PHYSICAL CHEMISTRY C, v.114, no.27, pp.11753 - 11757 | - |
dc.identifier.doi | 10.1021/jp102005k | - |
dc.identifier.issn | 1932-7447 | - |
dc.identifier.scopusid | 2-s2.0-77955334008 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/31391 | - |
dc.identifier.url | https://pubs.acs.org/doi/10.1021/jp102005k | - |
dc.identifier.wosid | 000279507900010 | - |
dc.language | 영어 | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.title | Controlling Cross Section of Carbon Nanotubes via Selective Hydrogenation | - |
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 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordPlus | GRAPHENE NANORIBBONS | - |
dc.subject.keywordPlus | STORAGE | - |
dc.subject.keywordPlus | CHEMISORPTION | - |
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