Presentation Information
[22p-C601-12]First-principles electronic structure calculations for organic-inorganic perovskites
〇(M1)Kohei Takasaki1, Naomu Sekiguchi1, Qing Wang1, Yuta Tsuji1, Satoshi Iikubo1 (1.Kyushu Univ.)
Keywords:
perovskite,solar cell,first principle
Pb-based perovskite has grown dramatically in solar cells. However, considering the impacts of lead on both human health and the environment, development of Pb-free perovskite is expected for application. In this study, we investigate elemental substitutions at the B site of MABI3 and compare the bandgap using first-principles calculations (DFT).