The Effects of Boron-Doping on the Electronic Properties of Blue Phosphorene

作     者：Yejin Wu Kexin Ma Zhiyong Wang Xueqiong Dai Yejin Wu;Kexin Ma;Zhiyong Wang;Xueqiong Dai

作者机构：College of Science Guilin University of Technology Guilin China Yejin Wu 

出 版 物：《Graphene》 (石墨烯（英文）)

年 卷 期：2021年第10卷第3期

页      面：41-47页

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

主　　题：Blue Phosphorene Boron-Doping Band Gap 

摘      要：In this paper, the effects of different boron (nitrogen)-doping on the electronic properties of blue phosphorene have been investigated by the first-principles calculations. We have taken eight doping configurations into account, the calculated results show that the bond length of P-B is decreasing with the doping concentration increasing. For the four boron atoms doping configuration, the geometric structure appears the distinct distortion. The band gap is decreasing with the doping concentration increasing, and it appears the transition from indirect band gap to direct band gap for boron doping configurations. It is hoped that the calculated results may be useful for designing electronic devices based on blue phosphorene.