[15a-K405-1~11] 12.5 Organic and hybrid solar cells

11:30 AM - 11:45 AM JST(2:30 AM - 2:45 AM UTC)

[15a-K405-10] Theoretical Study of Charge Separation Process in NTz-Based Non-Fullerene Organic Solar Cells

〇Haruka Araragi¹, Seihou Jinnai², Yutaka Ie², Azusa Muraoka¹ (1.Japan Women's Univ., 2.Osaka Univ.)

Keywords:

organic solar cells,organic semiconductor materials

Recently, non-fullerene organic thin-film solar cells (NTz) have attracted much attention for their high performance: NTz is a non-fullerene π-conjugated acceptor molecule with a small HOMO-LUMO gap and high charge mobility. In this study, we used density functional theory to analyze the electronic structure of TNTz, an alkyl-substituted thiophene fused to NTz, and evaluated its effect on the charge separation process from the dielectric constant and exciton binding energy at the interface with the donor molecule.