Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

2014

Journal or Book Title

Journal of Chemical Physics

Volume

141

First Page

1

Last Page

9

DOI

10.1063/1.4896763

Abstract

Electron transfer near an electrode immersed in ionic fluids is studied using the linear response approximation, namely, mean value of the vertical energy gap can be used to evaluate the reorganization energy, and hence any linear response model that can treat Coulomb interactions successfully can be used for the reorganization energy calculation. Specifically, a molecular Debye-Hückel theory is used to calculate the reorganization energy of electron transfer reactions in an electric cell. Applications to electron transfer near an electrode in molten salts show that the reorganization energies from our molecular Debye-Hückel theory agree well with the results from MD simulations.

Comments

The following article appeared in Journal of Chemical Physics 141 (2014): 134104, and may be found at doi:10.1063/1.4896763.

Rights

Copyright 2014 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

Copyright Owner

American Institute of Physics

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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