期刊
COMPUTATIONAL CONDENSED MATTER
卷 4, 期 -, 页码 40-45出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cocom.2015.08.001
关键词
Zigzag boron-nitrogen-carbon nanoribbon; Boron nitride nanoribbon; Graphene nanoribbon; Electronic structure; Transport property
资金
- Hunan Key Laboratory for Super-microstructure and Ultrafast Process
- National Natural Science Foundation of China [61306149, 11334014]
- Natural Science Foundation of Hunan Province [14JJ3026, 13JJ3003]
- Hong Kong Scholars Program [XJ2013003]
Using the density functional theory (DFT) and the nonequilibrium Green's function (NEGF) method, we study the electronic structures and transport properties of zigzag boronenitrogenecarbon nanoribbons (BNCNRs), which are constructed by the substructures of the BeN nanoribbons (BNNRs) and graphene nanoribbons (GNRs). The different position relationships (center or edge) of the BNNRs and GNRs, and the different edge patterns of the BNCNRs have been considered systematically. We found the electronic structures and transport properties of BNCNRs are significantly affected. The metallic and semiconductive properties of the BNCNRs can be modulated by the different combinations of the BNNRs and GNRs. And our results suggest BNCNRs would have potential applications in graphene-based nanodevices. (c) 2015 The Authors. Published by Elsevier B. V. This is an open access article under the CC BY-NC-ND license.
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