Photo-oxidative degradation of methylammonium lead iodide perovskite: mechanism and protection

被引：132

作者：

Ouyang, Yixin ^{[1
]}

Li, Yajuan ^{[2
]}

Zhu, Pengchen ^{[3
]}

Li, Qiang ^{[1
]}

Gao, Yuan ^{[3
]}

Tong, Jianyu ^{[4
]}

Shi, Li ^{[1
]}

Zhou, Qionghua ^{[1
]}

Ling, Chongyi ^{[1
]}

Chen, Qian ^{[1
]}

Deng, Zhengtao ^{[4
]}

Tan, Hairen ^{[3
]}

Deng, Weiqiao ^{[2
]}

Wang, Jinlan ^{[1
]}

机构：

[1] Southeast Univ, Sch Phys, Nanjing 211189, Jiangsu, Peoples R China

[2] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

[3] Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Jiangsu Key Lab Artificial Funct Mat, Natl Lab Solid State Microstruct,Coll Engn & Appl, Nanjing 210093, Jiangsu, Peoples R China

[4] Nanjing Univ, Coll Engn & Appl Sci, Collaborat Innovat Ctr Adv Microstruct, Nanjing Natl Lab Microstruct,Dept Biomed Engn, Nanjing 210093, Jiangsu, Peoples R China

来源：

JOURNAL OF MATERIALS CHEMISTRY A | 2019年 / 7卷 / 05期

基金：

中国国家自然科学基金; 国家重点研发计划;

关键词：

INITIO MOLECULAR-DYNAMICS; HALIDE PEROVSKITES; SOLAR-CELLS; AB-INITIO; PHOTOVOLTAIC EFFICIENCY; ELECTRONIC-STRUCTURE; HIGH-PERFORMANCE; ENERGY; OXYGEN; CH(3)NH(3)PBL(3);

D O I：

10.1039/c8ta12193a

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Although the power conversion efficiency of perovskite solar cells has exceeded 23%, the poor ambient stability of organic-inorganic halide perovskites poses a challenge for their commercialization. Comprehensive understanding of the underlying degradation mechanisms is a crucial step to seek approaches that can effectively suppress the degradation of perovskites. Herein, on the basis of extensive first-principles calculations, a three-step photo-oxidative degradation mechanism of MAPbI(3)d at the atomic level is revealed. We find that, in a dry ambient environment, the photo-generated superoxide anions (O-2(-)) first lead to fast surface oxidation. However, further oxidation of the perovskite interior is hindered by the solid oxidation product. The fresh water produced in surface oxidation leads to the hydration of the inner perovskite and eventual breakage of the MAPbI(3) lattice. We devise a practical strategy for protecting MAPbI(3) from photo-induced decomposition by anchoring hydrophobic 2-(4-fluorophenyl)propan-2-amine on the surface of MAPbI(3). The surface modification significantly retards the photo-induced decomposition.

引用

页码：2275 / 2282

页数：8

共 52 条

[1] Fast oxygen diffusion and iodide defects mediate oxygen-induced degradation of perovskite solar cells [J].