Modeling Interfacial Electron Transfer in the Double Layer: The Interplay Between Electrode Coupling and Electrostatic Driving
2019-07-23T16:12:22Z (GMT) by
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.