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Modeling the Effect of Disorder in the Two-Dimensional Electronic Spectroscopy of Poly-3-hexyltiophene in an Organic Photovoltaic Blend: A Combined Quantum/Classical Approach

[Image: see text] We introduce a first-principles model of the 12-mer poly-3-hexyltiophene (P3HT) polymer system in the realistic description of an organic photovoltaic blend environment. We combine Molecular Dynamics (MD) simulations of a thin-film blend of P3HT and phenyl-C61-butyric acid methyl e...

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Detalles Bibliográficos
Autores principales:	Palacino-González, Elisa, Jansen, Thomas L. C.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10108354/ https://www.ncbi.nlm.nih.gov/pubmed/37081993 http://dx.doi.org/10.1021/acs.jpcc.3c01080

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