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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 their 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 π-conjug...

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Detalles Bibliográficos
Autores principales:	Yan, Jun, Rodríguez-Martínez, Xabier, Pearce, Drew, Douglas, Hana, Bili, Danai, Azzouzi, Mohammed, Eisner, Flurin, Virbule, Alise, Rezasoltani, Elham, Belova, Valentina, Dörling, Bernhard, Few, Sheridan, Szumska, Anna A., Hou, Xueyan, Zhang, Guichuan, Yip, Hin-Lap, Campoy-Quiles, Mariano, Nelson, Jenny
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9277517/ https://www.ncbi.nlm.nih.gov/pubmed/35923416 http://dx.doi.org/10.1039/d2ee00887d

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