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DC Field | Value | Language |
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dc.citation.endPage | 3242 | - |
dc.citation.number | 8 | - |
dc.citation.startPage | 3236 | - |
dc.citation.title | JOURNAL OF PHYSICAL CHEMISTRY C | - |
dc.citation.volume | 115 | - |
dc.contributor.author | Gao, Haili | - |
dc.contributor.author | Wang, Lu | - |
dc.contributor.author | Zhao, Jijun | - |
dc.contributor.author | Ding, Feng | - |
dc.contributor.author | Lu, Jianping | - |
dc.date.accessioned | 2023-12-22T06:14:32Z | - |
dc.date.available | 2023-12-22T06:14:32Z | - |
dc.date.created | 2020-03-04 | - |
dc.date.issued | 2011-03 | - |
dc.description.abstract | The electronic states of partially hydrogenated graphene (HG) structures are studied by the density functional theory calculations. Several types of HG configurations, including randomly removing of H pair, randomly removing individual H atoms, and ordered H pairs removal, are investigated. We find that the configurations with randomly removing H pairs are most energetically favorable. More interestingly, the band gap for such configurations decrease with H concentration and approaches zero around 67% H coverage. The ability to continuously tune the band gap of hydrogenated graphene from 0 to 4.66 eV by different H coverage provides a new pathway for engineering the electronic structure of graphene materials and enhances their applications in electronics and photonics. | - |
dc.identifier.bibliographicCitation | JOURNAL OF PHYSICAL CHEMISTRY C, v.115, no.8, pp.3236 - 3242 | - |
dc.identifier.doi | 10.1021/jp1094454 | - |
dc.identifier.issn | 1932-7447 | - |
dc.identifier.scopusid | 2-s2.0-79952017985 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/31386 | - |
dc.identifier.url | https://pubs.acs.org/doi/10.1021/jp1094454 | - |
dc.identifier.wosid | 000287636900007 | - |
dc.language | 영어 | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.title | Band Gap Tuning of Hydrogenated Graphene: H Coverage and Configuration Dependence | - |
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 | REVERSIBLE HYDROGENATION | - |
dc.subject.keywordPlus | BASAL-PLANE | - |
dc.subject.keywordPlus | GRAPHANE | - |
dc.subject.keywordPlus | MOLECULES | - |
dc.subject.keywordPlus | CARBON | - |
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