Benzotriazole-based asymmetric nonfullerene acceptors with A-D-A1-A2 type structure for organic solar cells

Abstract

Although the wide-bandgap benzotriazole (BTA)-based A2-A1-D-A1-A2 type nonfullerene acceptors (NFAs) have realized super-high open-circuit voltage (VOC) of 1.3 V, the short-circuit current density (JSC) of these materials lag behind the narrow-bandgap A-D-A type analogs. Here, we design and synthesize two asymmetric A-D-A1-A2 type molecules, A301 and A302, by adopting 1,1-dicyanomethylene-3-indanone (IC), BTA and 2-(1,1-dicyanomethylene)rhodanine (RCN) as A, A1 and A2 units, respectively. Under the synergistic regulation of asymmetric end groups and side chain engineering, A302 with alkyl side chains on D unit exhibits red-shifted absorption, tighter molecular packing, and stronger crystallinity in comparison with A301 with phenyl side chain. Consequently, PM6:A302-based organic solar cells (OSCs) realize an enhanced efficiency of 11.09% with an improved JSC of 17.95 mA cm−2, compared to those of PM6:A301-based device (PCE = 8.18%, JSC = 14.57 mA cm−2). Notably, the JSC of 17.95 mA cm−2 is the highest value for BTA-based NFAs to date. This work demonstrates A-D-A1-A2 type NFAs have great potential to balance the JSC and VOC, and side chain on D unit also has a great impact on the properties of this kind of materials.