Methylammonium cation deficient surface for enhanced binding stability at TiO₂/CH₃NH₃PbI₃ interface

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• 作者：Xin Xu ; Kai Li ; Zhenzhong Yang ; Jiangjian Shi ; Dongmei Li ; Lin Gu…
• 关键词：perovskite ; interfacial atomic structure ; scanning transmission electron microscopy (STEM) ; first ; principles calculations
• 刊名：Nano Research
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：10
• 期：2
• 页码：483-490
• 全文大小：
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Nanotechnology; Materials Science, general; Atomic/Molecular Structure and Spectra; Condensed Matter Physics; Biotechnology; Biomedicine, general;
• 出版者：Tsinghua University Press
• ISSN：1998-0000
• 卷排序：10

文摘

Heterojunction interfaces in perovskite solar cells play an important role in enhancing their photoelectric properties and stability. Till date, the precise lattice arrangement at TiO₂/CH₃NH₃PbI₃ heterojunction interfaces has not been investigated clearly. Here, we examined a TiO₂/CH₃NH₃PbI₃ interface and found that a heavy atomic layer exists in such interfaces, which is attributed to the vacancies of methylammonium (MA) cation groups. Further, first-principles calculation results suggested that an MA cation-deficient surface structure is beneficial for a strong heterogeneous binding between TiO₂ and CH₃NH₃PbI₃ to enhance the interface stability. Our research is helpful for further understanding the detailed interface atom arrangements and provides references for interfacial modification in perovskite solar cells.