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Title: Layer-by-Layer Degradation of Methylammonium Lead Tri-iodide Perovskite Microplates

Abstract

The methylammonium lead iodide (MAPbI3) perovskite has attracted considerable interest for its high-efficiency, low-cost solar cells, but is currently plagued by its poor environmental and thermal stability. To aid the development of robust devices, we investigate here the microscopic degradation pathways of MAPbI3 microplates. Using in situ transmission electron microscopy to follow the thermal degradation process, we find that under moderate heating at 85°C the crystalline structure shows a gradual evolution from tetragonal MAPbI3 to trigonal lead iodide layered crystals with a fixed crystallographic direction. Our solid-state nudged elastic band calculations confirm that the surface-initiated layer-by-layer degradation path exhibits the lowest energy barrier for crystal transition. We further show experimentally and theoretically that encapsulation of the perovskites with boron nitride flakes suppresses the surface degradation, greatly improving its thermal stability. These studies provide mechanistic insight into the thermal stability of perovskites that suggests new designs for improved stability.

Authors:
; ; ; ; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
California Institute of Technology (CalTech), Pasadena, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1549329
Alternate Identifier(s):
OSTI ID: 1467627
Grant/Contract Number:  
SC0004993
Resource Type:
Published Article
Journal Name:
Joule
Additional Journal Information:
Journal Name: Joule Journal Volume: 1 Journal Issue: 3; Journal ID: ISSN 2542-4351
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Fan, Zheng, Xiao, Hai, Wang, Yiliu, Zhao, Zipeng, Lin, Zhaoyang, Cheng, Hung-Chieh, Lee, Sung-Joon, Wang, Gongming, Feng, Ziying, Goddard, III, William A., Huang, Yu, and Duan, Xiangfeng. Layer-by-Layer Degradation of Methylammonium Lead Tri-iodide Perovskite Microplates. United States: N. p., 2017. Web. https://doi.org/10.1016/j.joule.2017.08.005.
Fan, Zheng, Xiao, Hai, Wang, Yiliu, Zhao, Zipeng, Lin, Zhaoyang, Cheng, Hung-Chieh, Lee, Sung-Joon, Wang, Gongming, Feng, Ziying, Goddard, III, William A., Huang, Yu, & Duan, Xiangfeng. Layer-by-Layer Degradation of Methylammonium Lead Tri-iodide Perovskite Microplates. United States. https://doi.org/10.1016/j.joule.2017.08.005
Fan, Zheng, Xiao, Hai, Wang, Yiliu, Zhao, Zipeng, Lin, Zhaoyang, Cheng, Hung-Chieh, Lee, Sung-Joon, Wang, Gongming, Feng, Ziying, Goddard, III, William A., Huang, Yu, and Duan, Xiangfeng. Wed . "Layer-by-Layer Degradation of Methylammonium Lead Tri-iodide Perovskite Microplates". United States. https://doi.org/10.1016/j.joule.2017.08.005.
@article{osti_1549329,
title = {Layer-by-Layer Degradation of Methylammonium Lead Tri-iodide Perovskite Microplates},
author = {Fan, Zheng and Xiao, Hai and Wang, Yiliu and Zhao, Zipeng and Lin, Zhaoyang and Cheng, Hung-Chieh and Lee, Sung-Joon and Wang, Gongming and Feng, Ziying and Goddard, III, William A. and Huang, Yu and Duan, Xiangfeng},
abstractNote = {The methylammonium lead iodide (MAPbI3) perovskite has attracted considerable interest for its high-efficiency, low-cost solar cells, but is currently plagued by its poor environmental and thermal stability. To aid the development of robust devices, we investigate here the microscopic degradation pathways of MAPbI3 microplates. Using in situ transmission electron microscopy to follow the thermal degradation process, we find that under moderate heating at 85°C the crystalline structure shows a gradual evolution from tetragonal MAPbI3 to trigonal lead iodide layered crystals with a fixed crystallographic direction. Our solid-state nudged elastic band calculations confirm that the surface-initiated layer-by-layer degradation path exhibits the lowest energy barrier for crystal transition. We further show experimentally and theoretically that encapsulation of the perovskites with boron nitride flakes suppresses the surface degradation, greatly improving its thermal stability. These studies provide mechanistic insight into the thermal stability of perovskites that suggests new designs for improved stability.},
doi = {10.1016/j.joule.2017.08.005},
journal = {Joule},
number = 3,
volume = 1,
place = {United States},
year = {2017},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1016/j.joule.2017.08.005

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