Photo-oxidative degradation of methylammonium lead iodide perovskite: mechanism and protection†,Journal of Materials Chemistry A

当前位置： X-MOL 学术 › J. Mater. Chem. A › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Photo-oxidative degradation of methylammonium lead iodide perovskite: mechanism and protection†
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2018-12-21 00:00:00 , DOI: 10.1039/c8ta12193a
Yixin Ouyang _{1,

2,

3,

4} , Yajuan Li _{4,

5,

6,

7,

8} , Pengchen Zhu _{9,

10,

11,

12,

13} , Qiang Li _{1,

2,

3,

4} , Yuan Gao _{9,

10,

11,

12,

13} , Jianyu Tong _{12,

13,

14,

15,

16} , Li Shi _{1,

2,

3,

4} , Qionghua Zhou _{1,

2,

3,

4} , Chongyi Ling _{1,

2,

3,

4} , Qian Chen _{1,

2,

3,

4} , Zhengtao Deng _{12,

13,

14,

15,

16} , Hairen Tan _{9,

10,

11,

12,

13} , Weiqiao Deng _{4,

5,

6,

7,

8} , Jinlan Wang _{1,

2,

3,

4}

Affiliation

School of Physics
Southeast University
Nanjing 211189
China
State Key Laboratory of Molecular Reaction Dynamics
Dalian Institute of Chemical Physics
Chinese Academy of Sciences
Dalian 116023
National Laboratory of Solid State Microstructures
Collaborative Innovation Centre of Advanced Microstructures
Jiangsu Key Laboratory of Artificial Functional Materials
College of Engineering and Applied Sciences
Nanjing University
Department of Biomedical Engineering
Nanjing National Laboratory of Microstructures
Collaborative Innovation Center of Advanced Microstructures

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 MAPbI₃ at the atomic level is revealed. We find that, in a dry ambient environment, the photo-generated superoxide anions (O₂⁻) 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 MAPbI₃ lattice. We devise a practical strategy for protecting MAPbI₃ from photo-induced decomposition by anchoring hydrophobic 2-(4-fluorophenyl)propan-2-amine on the surface of MAPbI₃. The surface modification significantly retards the photo-induced decomposition.

中文翻译：

甲基铵碘化铅钙钛矿的光氧化降解：机理与保护作用†

尽管钙钛矿太阳能电池的功率转换效率已超过23％，但有机-无机卤化物钙钛矿的环境稳定性差，对其商业化构成了挑战。全面了解潜在的降解机理是寻求可有效抑制钙钛矿降解的方法的关键步骤。在此，基于大量的第一性原理计算，揭示了在原子水平上MAPbI ₃的三步光氧化降解机理。我们发现，在干燥的周围环境，光产生超氧阴离子（O ₂^-）首先导致快速的表面氧化。但是，固体氧化产物阻碍了钙钛矿内部的进一步氧化。在表面氧化中产生的淡水导致内部钙钛矿的水合作用，并最终破坏MAPbI ₃晶格。我们设计了一种实用的策略，通过将疏水性2-（4-氟苯基）丙-2-胺锚定在MAPbI ₃的表面上来保护MAPbI ₃免受光诱导的分解。表面改性显着阻碍了光诱导的分解。

更新日期：2018-12-21

点击分享查看原文

点击收藏

阅读更多本刊新发论文本刊介绍/投稿指南