Exploring thermal transitions in anthradithiophene-based organic semiconductors to reveal structure-packing relationships
Author:
Affiliation:
1. Department of Chemistry & Center for Applied Energy Research, University of Kentucky
2. Lexington
3. USA
Abstract
Molecular dynamics simulations are used to provide atomic-scale details of the thermally induced phase transitions of crystalline organic semiconductors.
Funder
Office of Naval Research
National Science Foundation
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2018/TC/C8TC03976C
Reference66 articles.
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1. Computational Approaches for Organic Semiconductors: From Chemical and Physical Understanding to Predicting New Materials;Chemical Reviews;2023-05-04
2. Following the crystal growth of anthradithiophenes through atomistic molecular dynamics simulations and graph characterization;Molecular Systems Design & Engineering;2022
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