Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1559661 | Computational Condensed Matter | 2015 | 6 Pages |
Abstract
Using the density functional theory (DFT) and the nonequilibrium Green's function (NEGF) method, we study the electronic structures and transport properties of zigzag boron-nitrogen-carbon nanoribbons (BNCNRs), which are constructed by the substructures of the B-N 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 nano-devices.
Related Topics
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Authors
Jun Ouyang, Mengqiu Long, Dan Zhang, Xiaojiao Zhang, Jun He, Yongli Gao,