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Electrochemical charge transfer at a metallic electrode: a simulation study.

Abstract:

The calculation of the Marcus free energy curves for electron transfer events between a redox species and a metallic electrode in an atomistic simulation designed to model the electrochemical interface with an ionic liquid is described. The calculation is performed on a system comprising a molten salt mixture confined between model metallic electrodes [Reed et al., J. Chem. Phys. 126, 084704 (2007)] which are maintained at a constant electrical potential. The calculation therefore includes a ...

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Publication status:
Published

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Publisher copy:
10.1063/1.2844801

Authors


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Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
Role:
Author
Journal:
The Journal of chemical physics
Volume:
128
Issue:
12
Pages:
124701
Publication date:
2008-03-05
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
URN:
uuid:6f776663-ce3f-479e-b568-eaf320845092
Source identifiers:
416051
Local pid:
pubs:416051

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