Temperature-Dependent Conformation Behavior of Isolated Poly(3-hexylthiopene) Chains

We use atomistic as well as coarse-grained molecular dynamics simulations to study the conformation of a single poly(3-hexylthiopene) chain as a function of temperature. We find that mainly bundle and toroid structures appear with bundles becoming more abundant for decreasing temperatures. We compar...

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Detalles Bibliográficos
Autores principales: Pantawane, Sanwardhini, Gekle, Stephan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8840214/
https://www.ncbi.nlm.nih.gov/pubmed/35160539
http://dx.doi.org/10.3390/polym14030550

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8840214/
https://www.ncbi.nlm.nih.gov/pubmed/35160539
http://dx.doi.org/10.3390/polym14030550

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