Do charges delocalize over multiple molecules in fullerene derivatives?
Author:
Affiliation:
1. Laboratory for Chemistry of Novel Materials
2. University of Mons
3. 7000 Mons
4. Belgium
5. Laboratoire de Chimie des Polymères Organiques
6. UMR 5629
7. University of Bordeaux
8. 33607 Pessac
9. France
Abstract
We address the question of charge delocalization in amorphous and crystalline fullerene solids by performing state of the art calculations encompassing force-field molecular dynamics, microelectrostatic and quantum-chemical methods.
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2016/TC/C5TC03283K
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