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김병수

Kim, Byeong-Su
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dc.citation.endPage 427 -
dc.citation.startPage 418 -
dc.citation.title CARBON -
dc.citation.volume 109 -
dc.contributor.author Kang, Byungkyun -
dc.contributor.author Choi, Yuri -
dc.contributor.author Kim, Byeong-Su -
dc.contributor.author Youn, Il Seung -
dc.contributor.author Lee, Geunsik -
dc.date.accessioned 2023-12-21T23:08:20Z -
dc.date.available 2023-12-21T23:08:20Z -
dc.date.created 2016-10-21 -
dc.date.issued 2016-11 -
dc.description.abstract Using the first principles methods, we performed systematic study on the effect of edge-functional groups on the electronic energy levels and the optical properties of sp(2) carbon clusters. It is found that the intrinsic pi and pi* orbitals are weakly altered by oxygen-bearing functional groups, but it is significantly disrupted by pyrrolic groups. Thereby the oscillator strength of the lowest-energy transition is found to be much stronger for the pyrrolic group functionalized cluster than for the carboxyl group. From our results being consistent with the experimental reports, we suggest that the photoluminescence enhancement is caused by a perturbation of the intrinsic, frontier molecular orbitals by edge groups. -
dc.identifier.bibliographicCitation CARBON, v.109, pp.418 - 427 -
dc.identifier.doi 10.1016/j.carbon.2016.06.007 -
dc.identifier.issn 0008-6223 -
dc.identifier.scopusid 2-s2.0-84983421455 -
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/20641 -
dc.identifier.url http://www.sciencedirect.com/science/article/pii/S0008622316304584 -
dc.identifier.wosid 000385900100048 -
dc.language 영어 -
dc.publisher PERGAMON-ELSEVIER SCIENCE LTD -
dc.title Orbital hybridization mechanism for the enhanced photoluminescence in edge-functionalized sp2 carbon clusters -
dc.type Article -
dc.description.isOpenAccess FALSE -
dc.relation.journalWebOfScienceCategory Chemistry, Physical; Materials Science, Multidisciplinary -
dc.relation.journalResearchArea Chemistry; Materials Science -
dc.description.journalRegisteredClass scie -
dc.description.journalRegisteredClass scopus -
dc.subject.keywordPlus NANODOTS -
dc.subject.keywordPlus LUMINESCENCE -
dc.subject.keywordPlus DENSITY -
dc.subject.keywordPlus GRAPHENE QUANTUM DOTS -
dc.subject.keywordPlus IN-VIVO -

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