Near-Infrared Electron Acceptors with Unfused Architecture for Efficient Organic Solar Cells

The absorption of nonfullerene acceptors (NFAs) at near-infrared (NIR) regions is crucial for obtaining high current densities in organic solar cells (OSCs). Herein, two narrow-band gap NFAs with unfused backbones possessing broad (600-900 nm) and strong absorption are developed by the conjugation of a benzothiadiazole core to halogenated end groups through a cyclopentadithiophene bridge. Compared with the fluorinated counterpart BCDT-4F, the chlorinated NFA BCDT-4Cl shows stronger J-aggregation and closer molecular packing, leading to an optimized blend morphology when paired with the polymer donor, PBDB-T. Thus, an obvious improvement in external quantum efficiency response was obtained for BCDT-4Cl-based OSCs, presenting a higher efficiency of 12.10% than those (9.65%) based on BCDT-4F. This work provides a design strategy for NIR acceptors in the combination of electron-deficient core and halogenated terminal in unfused backbones, which results in not only fine-tuning the optoelectronic properties but also simplifying the synthetic complexities of molecules.