[8a-A501-1~10] 12.5 Organic solar cells

[8a-A501-6] Evaluation of Structural stability in organic-inorganic perovskite compounds

〇Kumiko Yamamoto¹, Satoshi Iikubo¹, Jun Yamasaki¹, Yuhei Ogomi¹, Shuzi Hayase¹ (1.Kyushu Inst. Tech.)

Keywords:solar cell, perovskite, first-principles calculation

Perovskite-type compound CH₃NH₃PbI₃ have a much attention as a solar cell because of its high conversion 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. ), and the obtained results have been compared with the experimental results. We also discuss about the origin of stabilization of perovskite structure in partially substituted system.