Passivation for Cu₂ZnSnS₄/WZ-ZnO interface states: From the first principles calculations

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• 作者：Yu-Wen Cheng ; Fu-Ling Tang ; ^{tfl03@mails.tsinghua.edu.cn} ; Hong-Tao Xue ; Hong-Xia Liu ; Bo Gao
• 关键词：First-principles calculations ; CZTS/WZ-ZnO interface ; Passivation ; Interface states ; Charge analysis
• 刊名：Applied Surface Science
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：394
• 期：Complete
• 页码：58-62
• 全文大小：1271 K
• 卷排序：394

文摘

The Cu2ZnSnS4/WZ-ZnO interface states peaks can be reduced more or less by introducing F, Cl and H. H and F have a more efficient passivation effect than Cl atoms. F, Cl and H can get part of the electrons leading to interface states and that the interface states can be passivated by F, Cl or H atoms.