Identifying structure-absorption relationships and predicting absorption strength of non-fullerene acceptors for organic photovoltaics

Non-fullerene acceptors (NFAs) are excellent light harvesters, yet the origin of such high optical extinction is not well understood. In this work, we investigate the absorption strength of NFAs by building a database of time-dependent density functional theory (TDDFT) calculations of ~500 pi-conjug...

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Hauptverfasser:	Yan, Jun, Rodriguez-Martinez, Xabier, Pearce, Drew, Douglas, Hana, Bili, Danai, Azzouzi, Mohammed, Eisner, Flurin, Virbule, Alise, Rezasoltani, Elham, Belova, Valentina, Dorling, Bernhard, Few, Sheridan, Szumska, Anna A, Hou, Xueyan, Zhang, Guichuan, Yip, Hin-Lap, Campoy-Quiles, Mariano, Nelson, Jenny
Format:	Artikel
Sprache:	eng
Schlagworte:	Physics - Applied Physics Physics - Materials Science
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