Prediction of stable BC3N2 monolayer from first-principles calculations: Stoichiometry, crystal structure, electronic and adsorption properties

Jiahui Yu, Chaozheng He, Chunying Pu, Ling Fu, Dawei Zhou, Kun Xie, Jinrong Huo, Chenxu Zhao, Lingmin Yu

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Chinese Chemical Letters ›› 2021, Vol. 32 ›› Issue (10) : 3149-3154. DOI: 10.1016/j.cclet.2021.02.046
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Prediction of stable BC3N2 monolayer from first-principles calculations: Stoichiometry, crystal structure, electronic and adsorption properties

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