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arXiv · 0711.1700

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

Hao Ren·Qunxiang Li·Haibin Su·Q. W. Shi·Jie Chen·Jinlong Yang
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Abstract

In 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.

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Hao Ren, Qunxiang Li, Haibin Su, Q. W. Shi, Jie Chen, Jinlong Yang. 2007-11-12. Edge Effects on the Electronic Structures of Chemically Modified Armchair Graphene Nanoribbons. https://arxiv.org/abs/0711.1700

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