Tying Together Multiscale Calculations for Charge Transport in P3HT: Structural Descriptors, Morphology, and Tie-Chains

Evaluating new, promising organic molecules to make next-generation organic optoelectronic devices necessitates the evaluation of charge carrier transport performance through the semi-conducting medium. In this work, we utilize quantum chemical calculations (QCC) and kinetic Monte Carlo (KMC) simula...

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Detalles Bibliográficos
Autores principales: Miller, Evan D., Jones, Matthew L., Jankowski, Eric
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6401820/
https://www.ncbi.nlm.nih.gov/pubmed/30961283
http://dx.doi.org/10.3390/polym10121358

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6401820/
https://www.ncbi.nlm.nih.gov/pubmed/30961283
http://dx.doi.org/10.3390/polym10121358

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