Abstract

AbstractAcceptor–donor–acceptor (A–D–A) is an effective molecular design strategy for organic small molecules. In this work, we reported a simple A–D–A small molecule (TBDT‐2HT‐ID), with thiophene‐substituted benzodithiophene (TBDT) as a core, 1H‐indene‐1,3(2H)‐dione (ID) as end‐capped acceptor, and linked by the π‐bridge of 3,6‐dihexylthieno[3,2‐b]thiophene. UV and CV results showed that the molecule exhibited good absorption in the range of 300–700 nm but a very low HOMO energy level (−5.47 eV). Grazing incidence X‐ray diffraction (GIXRD) results demonstrate it has good crystallinity and adopts an edge‐on molecular packing, and consequently its hole mobility could reach 1×10−3 cm2 V‐1S−1. Based on PC71BM as acceptor, TBDT‐2HT‐ID had an excellent power conversion efficiency with 7.4 % without any post‐treatment, and a very high Voc of 1.07 V, which would be one of the highest Voc reported so far.

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