Theoretical insights into the stability of buckled tetragonal graphene and the prediction of novel carbon allotropes

Author:

Cheng Chao12,Zhang Xin1ORCID,Ma Shangyi1ORCID,Wang Shaoqing1ORCID

Affiliation:

1. Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, Liaoning, China

2. School of Materials Science and Engineering, University of Science and Technology of China, Shenyang 110016, Liaoning, China

Abstract

The stability of buckled tetragonal graphene has been clarified from several aspects. Vibrational mode analysis at high temperature was realized. Several semiconductor 2D materials with adjustable bandgap were predicted.

Funder

National Key Research and Development Program of China

Chinese Academy of Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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