Aggregation and Solubility of a Model Conjugated Donor-Acceptor Polymer

In conjugated polymers, solution-phase structure and aggregation exert a strong influence on device morphology and performance, making understanding solubility crucial for rational design. Using atomistic molecular dynamics (MD) and free energy sampling algorithms, we examine the aggregation and sol...

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Udgivet i:J Phys Chem Lett
Main Authors: Reid, Daniel R., Jackson, Nicholas E., Bourque, Alexander J., Snyder, Chad R., Jones, Ronald L., de Pablo, Juan J.
Format: Artigo
Sprog:Inglês
Udgivet: 2018
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Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6260830/
https://ncbi.nlm.nih.gov/pubmed/30063357
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.8b01738
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