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Unraveling surface functionalization of Cr2B2T2 (T = OH, O, Cl, H) MBene by first-principles calculations
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 199, 页码: 7
Authors:
Hu, Tao
;
Wang, Mengting
;
Wang, Xiaohui
;
Zhou, Yanchun
;
Li, Changming
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Submit date：2021/11/22
Two-dimensional materials
Surface functionalization
Stability
MBene
First-principles calculations
