Adsorption mechanisms of different toxic molecular gases on intrinsic C2N and Ti-C2N-V monolayer: a DFT study

被引：0
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作者：
Yan Liu
Lifen Guo
机构：
[1] Sichuan University,Institute of Atomic and Molecular Physics
[2] Zhongyuan University of Technology,School of Electronic and Information
来源：
Journal of Molecular Modeling | 2022年 / 28卷
关键词：
Ti-C; N; Adsorption; Density functional theory; Chemical toxic gases; Doping;
D O I：
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摘要：
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