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Modeling Interfacial Electron Transfer in the Double Layer: The Interplay Between Electrode Coupling and Electrostatic Driving

preprint
submitted on 22.07.2019, 13:18 and posted on 23.07.2019, 16:12 by Aditya Limaye, Adam Willard
This manuscript presents a theoretical model for simulating interfacial electron transfer reactions within the electrical double layer. This model resolves the population density of redox active species and simulated electron transfer at the level of Marcus theory, with a fluctuating solvent polarization coordinate. In this model, the kinetics and thermodynamics of electron transfer depend on the values of the electronic coupling of species (to the electrode) and the electrical potential drop, respectively.

History

Email Address of Submitting Author

awillard@mit.edu

Institution

Massachusetts Institute of Technology

Country

United States

ORCID For Submitting Author

0000-0002-0934-4737

Declaration of Conflict of Interest

none

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