Presentation Information
[8a-PB2-3]Development of novel acceptor materials based on a Diketo-pyrrolo-pyrrole backbone using a data-driven molecular discovery system
〇Kenshin Sasaki1, Naohiro Takahashi1, Haruka Kamiya2, Kazuhiro Okumura1, Azusa Miwa1, Senku Tanaka1, Hirotaka Kitoh-Nishioka1, Hisashi Handa2, Takashi Okubo1 (1.Fac. Sci. Eng. Kindai Univ., 2.Dept. Inf. Kindai Univ.)
Keywords:
Diketo-pyrrolo-pyrrole,Organic solar cells,Machine Learning
The development of semiconductor materials with strong light absorption properties across a broad range of the visible spectrum is crucial for improving the performance of organic thin-film solar cells. However, the number of possible combinations of donor-acceptor units is vast, and experimental screening has its limitations. In this study, we designed novel DPP derivatives using a data-driven molecular screening system that combines MCTS with QDF based on quantum chemistry. Synthesis and evaluation revealed that derivatives incorporating an indene moiety exhibited improved light absorption properties in the long-wavelength region.