[19a-P5-1~38] 12.5 Organic solar cells

[19a-P5-27] Ground State Search in Perovskite Solar Cells by First-Principles Calculation

〇Kumiko Yamamoto¹, Satoshi Iikubo¹, Yuhei Ogomi¹, Shuzi Hayase¹ (1.Kyushu Inst. Tech.)

Keywords:perovskite,solar cell,first-principles calculation

Perovskite-type compound CH₃NH₃PbI₃ have a much attention as a solar cell because of its high conversion efficiency. Replacement of Pb by the more environment-friendly Sn or other elements would facilitate the practical application. Present study has been conducted for the search of novel stable perovskite-type compounds by using first-principles calculation. Electronic structures of obtained stable structures have been examined.