First-principles investigation of Sn9Zn (0 0 0 1)/α-Al2O3 (0 0 0 1) interfacial adhesion

Le Ma,Yu Lu,Shu-yong Li,Wei Zuo,Zhi-qiang Ji,Min Ding

Applied Surface Science（2018）

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摘要

•Sn9Zn (0 0 0 1)/α-Al2O3 (0 0 0 1) interfacial adhesion was studied by First-principles.•O-terminated interface is favorable than that of Al-terminated.•Vacancy decreases the surface free energy.•The models of vacancy are effective for adsorption mechanism.

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关键词

First-principle,Sn9Zn (0 0 0 1)/α-Al2O3 (0 0 0 1) interface,Adhesion,Wettability,Vacancy

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