Geometry of Molecular Motions in Dye Monolayers at Various Coverages

Molecular motion in monolayers is thought to influence the kinetics of charge transport and recombination in systems such as dye-sensitized solar cells (DSSCs). In this work, we use ab initio molecular dynamics to evaluate the geometry and time scale of such molecular motion in a D102 monolayer. D10...

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Bibliographic Details
Main Authors: Vaissier, Valerie, Van Voorhis, Troy
Other Authors: Massachusetts Institute of Technology. Department of Chemistry
Format: Article
Language:en_US
Published: American Chemical Society (ACS) 2018
Online Access:http://hdl.handle.net/1721.1/115102
https://orcid.org/0000-0003-1487-2910
https://orcid.org/0000-0001-7111-0176