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Computational prediction of the electronic structure and optical properties of graphene-like β-CuN3

Xu Zhang1, Xudong Zhao, Yu Jing

  • 1Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Computational Centre for Molecular Science, Institute of New Energy Material Chemistry, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), School of Materials Science and Engineering, National Institute for Advanced Materials, Nankai University, Tianjin 300350, China. zhouzhen@nankai.edu.cn.

Physical Chemistry Chemical Physics : PCCP
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