DFT characterization of a new possible two-dimensional BN allotrope with a biphenylene network structure

Author:

Han Yang12ORCID,Hu Tingxiang1,Liu Xiaochuang1,Jia Shijie12,Liu Hangbing1,Hu Junyu1,Zhang Guolei2,Yang Longbin12,Hong Guo3,Chen Yi-Tung4

Affiliation:

1. Qingdao Innovation and Development Center of Harbin Engineering University, Qingdao 266400, China

2. College of Power and Energy Engineering, Harbin Engineering University, Harbin 150001, China

3. Department of Materials Science and Engineering & Center of Super-Diamond and Advanced Films, College of Engineering, City University of Hong Kong, 83 Tat Chee Avenue, Kowloon, Hong Kong SAR 999077, China

4. Department of Mechanical Engineering, University of Nevada, Las Vegas, NV 89154, USA

Abstract

A biphenylene network BN structure (bpn-BN) was proposed theoretically based on the pioneering work on the newly experimentally synthesized biphenylene network C which has triggered a worldwide tide of research on its family material counterparts.

Funder

National Natural Science Foundation of China

Science, Technology and Innovation Commission of Shenzhen Municipality

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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