Minimizing energy loss to increase open-circuit voltage (V_OC) is an essential topic to further improve the power conversion efficiency (PCE) in organic photovoltaics (OPVs). Though various molecular strategies have been developed, simultaneously achieving a V_OC beyond 1.0 V and maintaining a high PCE above 15% is a huge challenge. Herein, with A–DA′D–A type banana-shaped nonfullerene acceptor (NFA) Y6 as a benchmark, we creatively design acenaphtho[1,2-b]quinoxaline imide (AQI) as a large A′ unit and synthesize two shamrock-shaped NFAs AQI2 and AQI4, which contain different numbers of fluorine atoms on terminal groups. NFAs containing the AQI units could realize enhanced luminescence, decreased Stoke's shift, and minimized energy loss in OPVs. The conjugation extension in the longitudinal direction affords enlarged dipole moments, resulting in efficient hole transfer and long polaron lifetime. Consequently, the D18:AQI2-based devices obtained a PCE of 16.48% with an impressive V_OC of 1.00 V, and the D18:AQI4-based devices achieved a higher PCE of 18.02% with a V_OC of 0.95 V. A high PCE of 16.48% with a V_OC of 1.0 V has been realized for the first time. Our work introduces an effective molecular design strategy and demonstrates that shamrock-shaped NFAs can be a class of promising materials for high-performance OPVs with high voltage.

中文翻译：

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三叶草形非富勒烯受体可实现高效、高压有机光伏发电

最大限度地减少能量损失以提高开路电压（VOC）是进一步提高有机光伏（OPV）功率转换效率（PCE）的重要课题_。尽管已经开发了各种分子策略，但同时实现超过 1.0 V_的VOC并保持高于 15% 的高 PCE 是一个巨大的挑战。在此，我们以A-DA′D-A型香蕉形非富勒烯受体（NFA）Y6为基准，创造性地设计苊并[1,2- b ]喹喔啉酰亚胺（AQI）作为大A′单元，并合成了两个三叶草形状 NFA AQI2 和 AQI4，其端基上含有不同数量的氟原子。包含 AQI 单元的 NFA 可以增强发光，降低斯托克位移，并最大限度地减少 OPV 的能量损失。纵向的共轭延伸提供了更大的偶极矩，从而实现有效的空穴传输和较长的极化子寿命。因此，基于 D18:AQI2 的器件获得了 16.48% 的 PCE，VOC 为 1.00 V，令人印象深刻_，而基于 D18:AQI4 的器件则获得了 18.02% 的更高 PCE，VOC_为0.95 V。首次实现了16.48% 的_VOC为1.0 V。我们的工作引入了一种有效的分子设计策略，并证明三叶草形 NFA 可以成为一类用于高电压高性能 OPV 的有前途的材料。