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Abnormal behavior of preferred formation of cationic vacancy from the interior with the stereo-chemical antibonding lone-pair state

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Nanoscale Horiz., 2023, Accepted Manuscript
DOI: 10.1039/D2NH00573E, Communication
Yongqing Cai, Changmeng Huan, Devesh R Kripalani, Kun Zhou, Qingqing Ke
Two-dimensional (2D) materials tend to have the preferably formation of vacancies at the outer surface. Here, contrary to the normal notion, we reveal a type of vacancy that thermodynamically initiates...
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