β12硼烯纳米带的结构和电子性质

Journal of Jilin University Science Edition ›› 2019, Vol. 57 ›› Issue (5): 1240-1245.

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Structure and Electronic Properties of β₁₂Borene Nanoribbons

SHAO Li¹, DUAN Xiangyang¹, LI Yan¹, DING Pei¹, YE Honggang²

1. College of Science, Zhengzhou University of Aeronautics, Zhengzhou 450015, China；
2. Department of Applied Physics, Xi’an Jiaotong University, Xi’an 710049, China

Received:2018-11-15 Online:2019-09-26 Published:2019-09-20
Contact: DING Pei E-mail:dingpei@zua.edu.cn

Abstract

Abstract: We investigated the structure and electronic properties of β12borene nanoribbons (BNRs) by using first principles calculations. The results show that the bare BNRs with different width and cutting direction has metallicity, and the stability of the BNRs increases with the increase of width. The hydrogen atom is used to passivate the B atom at the boundary vertex of BNRs, most BNRs is metallic and a few BNRs is semiconductor.

Key words: first principle, borene nanoribbon, energy band structure

CLC Number:

TB303

SHAO Li, DUAN Xiangyang, LI Yan, DING Pei, YE Honggang. Structure and Electronic Properties of β₁₂Borene Nanoribbons[J].Journal of Jilin University Science Edition, 2019, 57(5): 1240-1245.

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Structure and Electronic Properties of β₁₂Borene Nanoribbons

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Structure and Electronic Properties of β₁₂Borene Nanoribbons