Presentation Information

[22p-C601-15]Adsorption calculations at the interface between oxide substrates and organic molecules
for perovskite solar cells

〇Naomu Sekiguchi1, Kohei Takasaki1, Wang Q1, Yuta Tsuji1, Through M.A2, Atsushi Wakaiya2, Satoshi Iikubo1 (1.Kyushu Univ, 2.Kyoto Univ)

Keywords:

perovskite solar cells,self-assembled-monolayers

In recent years, the power generation efficiency of perovskite solar cells has been significantly improved, and their practical application is expected. However, to further improve their efficiency, it is crucial to investigate materials capable of effectively collecting holes. In this study, we investigate the adsorption of organic molecules on substrates as hole recovery materials using first-principles calculations (DFT). According to the obtained adsorption characteristics, we identify the materials that demonstrate favorable attributes for efficient hole recovery.