[15p-A41-1~17] 12.5 Organic solar cells

[15p-A41-11] Ground State Search in Cs-Sn-I ternary system

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

Keywords:perovskite solar cell, first-principles calculation, ground state search

Using first-principles calculation, ground state search in Cs-Sn-I ternary system has been performed in order to obtain lead-free candidate showing high photoelectric conversion efficiency. Evolutionary algorithm is employed to explore stable structures, which have the lowest formation energy at each chemical compositions. As a result, undiscovered ternary compound was found as a ground state, except for perovskite structure.