Edge Effects on the Electronic Structures of Chemically Modified Armchair Graphene Nanoribbons

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dc.creatorRen, Hao
dc.creatorLi, Qunxiang
dc.creatorSu, Haibin
dc.creatorShi, Q. W.
dc.creatorChen, Jie
dc.creatorYang, Jinlong
dc.date2007-11-12
dc.date.accessioned2026-07-07T08:42:19Z
dc.date.available2026-07-07T08:42:19Z
dc.descriptionIn this paper, we apply the first-principle theory to explore how the electronic structures of armchair graphene nanoribbons (AGNRs) are affected by chemical modifications. The edge addends include H, F, N, NH$_{2}$, and NO$_{2}$. Our theoretical results show that the energy gaps are highly tunable by controlling the widths of AGNRs and addends. The most interesting finding is that N-passivated AGNRs with various widths are metallic due to the unique electronic features of N-N bonds. This property change of AGNRs (from semiconducting to metallic) is important in developing graphene-based devices.
dc.description5 pages and 5 figures
dc.identifierhttps://arxiv.org/abs/0711.1700
dc.identifierhttp://arxiv.org/abs/0711.1700
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/141921
dc.subjectMaterials Science
dc.subjectOther Condensed Matter
dc.titleEdge Effects on the Electronic Structures of Chemically Modified Armchair Graphene Nanoribbons
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