Article ID Journal Published Year Pages File Type
1559661 Computational Condensed Matter 2015 6 Pages PDF
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
Physical Sciences and Engineering Materials Science Materials Science (General)
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