Effect of Boron (Nitrogen)-Divacancy Complex Defects on the Electronic Properties of Graphene Nanoribbon

• 作者: Junchao Jin Mengyao Sun Zhiyong Wang
• 来源期刊: 石墨烯(英文)
• 学科: 化学
• 关键词: COMPLEX DEFECTS ELECTRONIC Properties Graphene NANORIBBON
• 年，卷（期）: 2017,（1）
• 页码范围: 19-25
• 页数: 7页
• 分类号: O6

摘要

We report the effect of boron (nitrogen)-divacancy complex defects on the electronic properties of graphene nanoribbon by means of density functional theory. It is found that the defective subbands appear in the conduction band and valence band in accordance with boron (nitrogen)-divacancy defect, respectively;the impurity subbands don’t lead to the transition from the metallic characteristic to a semiconducting one. These complex defects affect the electronic band structures around the Fermi level of the graphene nanoribbon;the charge densities of these configurations have also changed distinctly. It is hoped that the theoretical results are helpful in designing the electronic device.