On the microstructures of the bulk of P3HT amorphous films obtained from two protocols : insights from molecular dynamics simulations.

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Autor(es): dc.creatorSavedra, Ranylson Marcello Leal-
Autor(es): dc.creatorMorais, Marlene Notélio Borges Luíza de-
Autor(es): dc.creatorSavedra, Melissa Fabíola Siqueira-
Data de aceite: dc.date.accessioned2025-08-21T15:19:18Z-
Data de disponibilização: dc.date.available2025-08-21T15:19:18Z-
Data de envio: dc.date.issued2023-08-17-
Data de envio: dc.date.issued2023-08-17-
Data de envio: dc.date.issued2021-
Fonte completa do material: dc.identifierhttp://www.repositorio.ufop.br/jspui/handle/123456789/17251-
Fonte completa do material: dc.identifierhttps://www.sciencedirect.com/science/article/pii/S1093326322001589?via%3Dihub-
Fonte completa do material: dc.identifierhttps://doi.org/10.1016/j.jmgm.2022.108279-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1010345-
Descrição: dc.descriptionAn influential factor for the microstructure of semiconductor polymer films is the solvent chosen for their pro- cessing and subsequent performance as an active layer in electronic and optical devices. In this paper, we address the solvent-polymer interplays by reporting a comparison between the microstructure of the bulk of poly(3- hexylthiophene) (P3HT) films formed from two different simulation methodologies: using the o-dichloroben- zene (ODCB) as an aggregation chain parameter and a solvent-free protocol. In comparison to the length of an ideal planar chain, the solvent caused an average reduction of 12% of oligomer chains. Whereas, in the other film, the reduction was around 30%. Furthermore, the solvent allowed pathways of π-interactions due to the cohesional-like distribution of the chains, indicating that the solvent also induces chain orientation affecting its microstructure.-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Direitos: dc.rightsrestrito-
Palavras-chave: dc.subjectSolvent effects-
Palavras-chave: dc.subjectPolymer microstructure-
Palavras-chave: dc.subjectEntanglements-
Título: dc.titleOn the microstructures of the bulk of P3HT amorphous films obtained from two protocols : insights from molecular dynamics simulations.-
Aparece nas coleções:Repositório Institucional - UFOP

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