- 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 ...
Expand abstract - Publication status:
- Published
- Publisher copy:
- 10.1063/1.2844801
-
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- 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
- Language:
- English
- Keywords:
- Copyright date:
- 2008
Journal article
Electrochemical charge transfer at a metallic electrode: a simulation study.
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