[14a-303-1~10] 12.5 Organic solar cells

[14a-303-3] Theoretical Study on Vibrations and Rotations in Organic-inorganic Hybrid Perovskites

〇(M2)Shohei Kanno¹, Yutaka Imamura¹, Akinori Saeki², Masahiko Hada¹ (1.Tokyo Metropolitan Univ., 2.Osaka Univ.)

Keywords:perovskite solar cells, first-principle calculation, rotational motions of organic cations

To elucidate the mechanism of the photo-deterioration and the ferroelectricity in organic-inorganic hybrid perovskites for perovskite solar cells, the rotational motions of the organic cations in CH₃NH₃PbI₃ perovskite has been examined from experiments and theories. However, the comprehensive study for perovskites including alternative elements has not been performed yet. In this study, we examined the rotational energy barriers of the organic cations and the related lattice vibrations of inorganic frameworks in various perovskites by the first-principle calculations.