Modulating Molecular Orientation Enables Efficient Nonfullerene Small-Molecule Organic Solar Cells

In bulk-heterojunction organic solar cells (BHJ-OSCs), exciton dissociation and charge transport are highly sensitive to the molecular packing pattern and phase separation morphology in blend films. Efficient photovoltaic small molecules (SMs) typically possess an acceptor-donor-acceptor structure that causes intrinsic anisotropy, limiting the control over molecular packing because of the lack of an effective method for modulating molecular orientation. In this report, we design a group of model compounds, named DRTB-T-CX (X = 2, 4, 6, and 8), to demonstrate that adjusting the length of the end alkyl chain can be used to modify the molecular orientation. A top-performance power conversion efficiency (PCE) of up to 11.24% is achieved with a DRTB-T-C4/IT-4F-based device, which is the best performance reported for a state-of-the-art nonfullerene SM organic solar cell (NFSM-OSC).