A new A–D–A small molecule involving anthradithiophene as a donor and benzothiadiazole as an acceptor unit has been synthesized by Stille coupling reaction. Its thermal, optical and electronic properties, hole mobility and photovoltaic properties have been fully characterized. The resulting material shows a broad absorption range (300–750 nm), a low band gap (1.59 eV) and a moderate hole mobility (8.81 × 10−4 cm2 V−1 s−1). We used the new small molecule blended with PC71BM as the active layer to fabricate solution-processed organic solar cells (OSCs), and employed a variety of post-treatment methods to optimize the device performance. With the help of polar solvent exposure, the highest power conversion efficiency (PCE) of 0.55% was obtained. These results would supply useful information to understand the relationship between molecular structure and photovoltaic properties of anthradithiophene/benzothiadiazole-based OSCs.
