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

作　　者：Xin Xu Kai Li Zhenzhong Yang Jiangjian Shi Dongmei Li Lin Gu Zhijian Wu Qingbo Meng 

机构地区：[1]Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China [2]State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China

出　　处：《Nano Research》2017年第2期483-490,共8页纳米研究（英文版）

摘　　要：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.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.

关 键 词：perovskite interfacial atomic structure scanning transmission electron microscopy （STEM） first-principles calculations 

分 类 号：O[理学]