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

Yongqing Cai, Changmeng Huan,Devesh R Kripalani,Kun Zhou,Qingqing Ke

Nanoscale Horizons（2023）

Cited 5|Views10
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Abstract
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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