Acceptor–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 V_oc of 1.07 V, which would be one of the highest V_oc reported so far.

中文翻译：

---

可在溶液中加工的有机太阳能电池中具有1.07 V高开路电压的简单但高效的小分子

受体-供体-受体（A–D–A）是有机小分子的有效分子设计策略。在这项工作中，我们报告了一个简单的A–D–A小分子（TBDT-2HT-ID），其中噻吩取代的苯并二噻吩（TBDT）为核心，1H-茚-1,3（2 H）-二酮（ID ）作为封端的受体，并通过3,6-二己基噻吩并[3,2-b]噻吩的π-桥连接。UV和CV结果表明，该分子在300–700 nm范围内显示出良好的吸收，但HOMO能级非常低（−5.47 eV）。掠入射X射线衍射（GIXRD）结果表明它具有良好的结晶度并采用边缘吸附分子堆积，因此其空穴迁移率可以达到1×10 ^-3  cm ²  V ^-1 S ^-1。基于PC ₇₁ BM作为接收器，TBDT-2HT-ID具有出色的功率转换效率，无需任何后处理即可达到7.4％，并且具有非常高的V _oc为1.07 V，这是迄今为止报道的最高V _oc之一。