Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: May 6, 2025

Abstract Almost all of central cores in high‐performance acceptors are limited to the electron‐withdrawing diimide structure currently, which constrains further acceptor structural innovation greatly. Herein, oxygen (O), sulfur (S), and nitrogen (N) atoms adopted bridge 2D conjugated cores, yielding three platforms CH─O, CH─S, CH─N that differ by only two atoms. Because characteristic atomic outer electron configuration hybrid orbital orientation, O‐, S‐, N‐bridged display quite different conformations electronic properties, namely, dibenzodioxin (planar, non‐aromatic), thianthrene (puckered, non‐aromatic) phenazine aromatic), respectively. A systematic investigation discloses how core, especially its p‐π overlap between lone pair on O/S/N coterminous benzene planes, affect intrinsic photoelectronic properties for first time. Finally, CH─N‐based binary device affords highest fill factor 83.13% organic photovoltaics along with a first‐class efficiency 20.23%. By evaluating strictly controlled molecular comprehensively, work reveals potential uniqueness determining excellent photovoltaic outcomes acceptors.

Language: Английский