Effect of Isotopic Substitution on Elementary Processes in Dye-Sensitized Solar Cells: Deuterated Amino-Phenyl Acid Dyes on TiO2

Effect of Isotopic Substitution on Elementary Processes in Dye-Sensitized Solar Cells: Deuterated Amino-Phenyl Acid Dyes on TiO2

We present the first computational study of the effects of isotopic substitution on the operation of dye-sensitized solar cells. Ab initio molecular dynamics is used to study the effect of deuteration on light absorption, dye adsorption dynamics, the averaged over vibrations driving force to injecti...

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Bibliographic Details
Main Authors: Sergei Manzhos, Hiroshi Segawa, Koichi Yamashita
Format: Article
Language:English
Published: MDPI AG 2013-03-01
Series:Computation
Subjects:
dye-sensitized solar cells
molecular dynamics
deuteration
isotopic substitution
electron injection
recombination
dye regeneration
Online Access:http://www.mdpi.com/2079-3197/1/1/1

Internet

http://www.mdpi.com/2079-3197/1/1/1

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