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Computation-based regulation of excitonic effects in donor-acceptor covalent organic frameworks for enhanced photocatalysis

The strong excitonic effects widely exist in polymer-semiconductors and the large exciton binding energy (E(b)) seriously limits their photocatalysis. Herein, density functional theory (DFT) calculations are conducted to assess band alignment and charge transfer feature of potential donor-acceptor (...

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Detalles Bibliográficos
Autores principales:	Qian, Yunyang, Han, Yulan, Zhang, Xiyuan, Yang, Ge, Zhang, Guozhen, Jiang, Hai-Long
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10227069/ https://www.ncbi.nlm.nih.gov/pubmed/37248231 http://dx.doi.org/10.1038/s41467-023-38884-w

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