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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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Two-dimensional materials  Surface functionalization  Stability  MBene  First-principles calculations