Electronic structures of hybrid graphane/boron nitride nanoribbons with hydrogen vacancies

被引：1

作者：

Lee, Chi-Hsuan ^{[1
]}

Tseng, Wei-Hua ^{[1
]}

Yang, Chih-Kai ^{[1
]}

机构：

[1] Natl Chengchi Univ, Grad Inst Appl Phys, Taipei 11605, Taiwan

来源：

AIP ADVANCES | 2017年 / 7卷 / 07期

关键词：

TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; BORON-NITRIDE; GRAPHENE;

D O I：

10.1063/1.4989771

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The electronic properties of hybrid graphane/boron-nitride nanoribbons with hydrogen vacancies are investigated using density functional calculations. Hydrogen vacancies in the shapes of lines and chains in the composite system are able to alter the electronic properties drastically. If segregated by a BN separator, H-vacancy chains may also be used for conduction of optically excited electrons on either edge of the BN, rendering it possible to create spatially distinctive conduction channels. (C) 2017 Author(s).

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