[13p-P9-1~38] 12.5 Organic solar cells

[13p-P9-24] Structural stability and charge distribution in organic-inorganic perovskite compounds

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

Keywords:perovskite, solar cell, first-principles calculation

Organic-inorganic perovskite compound CH₃NH₃PbI₃ attracts much attention because of the high efficiency. For practical application, however, toxic lead and low stability of it must be improved. Using first-principles calculation, we have studied stability of the perovskite structures represented as ABI₃ (A=CH₃NH₃, Cs, and CH(NH₂)₂ and B=Pb, Sn, In etc. ). Our results suggest that bonding state between A and I have an influence on structural stability in the solid solution.