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DC Field | Value | Language |
---|---|---|
dc.citation.endPage | 89 | - |
dc.citation.startPage | 85 | - |
dc.citation.title | CHEMICAL PHYSICS LETTERS | - |
dc.citation.volume | 570 | - |
dc.contributor.author | Shin, Dongbin | - |
dc.contributor.author | Jung, Hyun | - |
dc.contributor.author | Han, Sang Soo | - |
dc.contributor.author | Choi, Cheol Ho | - |
dc.contributor.author | Lee, Hosik | - |
dc.contributor.author | Park, Noejung | - |
dc.date.accessioned | 2023-12-22T04:06:52Z | - |
dc.date.available | 2023-12-22T04:06:52Z | - |
dc.date.created | 2013-07-04 | - |
dc.date.issued | 2013-05 | - |
dc.description.abstract | We use ab initio theories to investigate the configuration of the mobile fluoride acceptor anions on sp(2)-bonded carbon materials. We find that trifluoride anion (F-3(-1)) is bound onto the graphene plane through ionic interaction, shifting the Fermi level rigidly without perturbing the pi electron structures. This suggests that the F-3(-1) can easily migrate, generating hole carriers in graphitic materials. On the other hand, the monatomic fluoride anion is not stable against the formation of the C-F bond, and F-2 molecule does not adsorb. We suggest that the widely debated semi-ionic C-F bond is not a relevant model for fluorinated graphites. | - |
dc.identifier.bibliographicCitation | CHEMICAL PHYSICS LETTERS, v.570, pp.85 - 89 | - |
dc.identifier.doi | 10.1016/j.cplett.2013.03.042 | - |
dc.identifier.issn | 0009-2614 | - |
dc.identifier.scopusid | 2-s2.0-84877023410 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/3661 | - |
dc.identifier.url | http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84877023410 | - |
dc.identifier.wosid | 000319102100018 | - |
dc.language | 영어 | - |
dc.publisher | ELSEVIER SCIENCE BV | - |
dc.title | Microscopic nature of mobile fluoride anions on sp2 carbon surfaces | - |
dc.type | Article | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical; Physics, Atomic, Molecular & Chemical | - |
dc.relation.journalResearchArea | Chemistry; Physics | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordPlus | GRAPHITE INTERCALATION COMPOUNDS | - |
dc.subject.keywordPlus | DENSITY-FUNCTIONAL THEORY | - |
dc.subject.keywordPlus | TOTAL-ENERGY CALCULATIONS | - |
dc.subject.keywordPlus | WAVE BASIS-SET | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | FLUORINATED GRAPHITE | - |
dc.subject.keywordPlus | ELECTRONIC-STRUCTURE | - |
dc.subject.keywordPlus | SYSTEMS | - |
dc.subject.keywordPlus | APPROXIMATION | - |
dc.subject.keywordPlus | NANOFIBERS | - |
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