Strain regulating mechanical stability and photoelectric properties of CH3NH3PbI3 containing the asymmetric CH3NH3 cations

Strain engineering effectively improves the intrinsic stability and power conversion efficiency (PCE) of organic-inorganic hybrid CH3NH3PbI3 perovskite solar cells (PSCs), wherein the disordered state of asymmetric CH3NH3 cations induces different photoelectric properties. However, there is limited...

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Bibliographic Details
Published in:Materials today communications 2022-12, Vol.33, p.104527, Article 104527
Main Authors: Yang, Qi, Fang, Wenjing, Diao, Kaiyu, Meng, Qiyu, Liu, Wenyu, Qu, Yongxiao, Pan, Zhiming, Liu, Bing
Format: Article
Language:English
Subjects:
Asymmetric CH3NH3
Bending phase transition
Mechanical stability
Photovoltaic properties
Strain engineering
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Summary:Strain engineering effectively improves the intrinsic stability and power conversion efficiency (PCE) of organic-inorganic hybrid CH3NH3PbI3 perovskite solar cells (PSCs), wherein the disordered state of asymmetric CH3NH3 cations induces different photoelectric properties. However, there is limited information about the effect of asymmetric CH3NH3 cations on structural evolution and mechanical stability under the strains (ε). Herein, the effect of strains on CH3NH3PbI3 containing the asymmetric CH3NH3 cations is investigated using density functional theory (DFT). The results show that the asymmetric CH3NH3 cations have little impact on atomic structure at lower strains −4.0 %
ISSN:2352-4928
2352-4928
DOI:10.1016/j.mtcomm.2022.104527