[C-3] Perovskite Solar Cells

[C-3-03] First-principles Theoretical Study on Photo-induced Composition Separation of Mixed-halide Perovskites CsPb(I_xBr_1-x)₃ for Solar-cell Application

〇Ami Tomita¹, Takashi Nakayama¹ (1. Chiba Univ. (Japan))

Presentation style: On-site (in-person)

https://doi.org/10.7567/SSDM.2022.C-3-03

Mixed-halide perovskites CsPb(IxBr1-x)3 are promising materials for solar-cell usage because their band gaps can be easily controlled by their halogen compositions. However, they often separate into I-rich and Br-rich phases under photo irradiation, which leads to the instability of optical properties and thus is one of issues for their application. In this work, by the first-principles calculations, we show that the photo-induced carriers promote such composition separation of mixed-halide CsPb(IxBr1-x)3, and discuss how to prevent such separation based on the result.