stability and photoelectric properties of alkali metal-doped MAPbI3(001) surface in humid environment

Kangning Liu; Wangyang Duan; Wenqiang Fu; Xinguo Ma; Ziqing Chen; Chuyun Huang; Jisong Hu

doi:10.1117/12.2648288

14 October 2022 Stability and photoelectric properties of alkali metal-doped MAPbI₃(001) surface in humid environment

Kangning Liu, Wangyang Duan, Wenqiang Fu, Xinguo Ma, Ziqing Chen, Chuyun Huang, Jisong Hu

Proceedings Volume 12343, 2nd International Conference on Laser, Optics and Optoelectronic Technology (LOPET 2022); 123430I (2022) https://doi.org/10.1117/12.2648288
Event: 2nd International Conference on Laser, Optics and Optoelectronic Technology (LOPET 2022), 2022, Qingdao, China

Abstract

The development of methylammonium lead iodine (MAPbI₃) is limited by its low stability in humid environments. Here, the stability, electronic structure, and optical properties of MAPbI₃(001) surface substituted with alkali metal during the adsorption of water molecules were investigated by first-principles calculations. The results show that MAPbI₃(001) surface is more stable after doping with K, Rb, and Cs. It is found that the adsorption of water molecule by Pb atom on MAPbI₃(001) surface is weakened due to K, Rb, and Cs doping, which further enhancing the stability of MAPbI₃ in humid environments. Furthermore, the K, Rb, and Cs dopants reduce the band gap of MAPbI₃ and improve the electron leaping ability of MAPbI₃, among which the gain effect of Cs dopant on MAPbI₃ light absorption is the most noticeable. These findings illustrate the protective mechanism of alkali metal doping on MAPbI₃ in a humid environment. And it may provide theoretical guidance for improving the stability of perovskite solar cells in a humid environment experimentally.

Citation Download Citation

Kangning Liu, Wangyang Duan, Wenqiang Fu, Xinguo Ma, Ziqing Chen, Chuyun Huang, and Jisong Hu "Stability and photoelectric properties of alkali metal-doped MAPbI₃(001) surface in humid environment", Proc. SPIE 12343, 2nd International Conference on Laser, Optics and Optoelectronic Technology (LOPET 2022), 123430I (14 October 2022); https://doi.org/10.1117/12.2648288

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