Electron Transfer Mechanism at the Oil/Water Interface Revealed by Multidimensional Free Energy Calculations

Volume: 124, Issue: 18, Pages: 3811 - 3827
Published: Apr 15, 2020
Abstract
The electron transfer (ET) reaction of ferrocene and ferricyanide at the water–dichloromethane interface, a typical liquid–liquid ET in electrochemistry, was intensively investigated with a three-dimensional free energy surface that fully describes the transport, association, and solvent fluctuation in the ET processes. The calculated free energy surface provides the comprehensive picture of the ET mechanism at the liquid–liquid interface. The...
Paper Details
Title
Electron Transfer Mechanism at the Oil/Water Interface Revealed by Multidimensional Free Energy Calculations
Published Date
Apr 15, 2020
Volume
124
Issue
18
Pages
3811 - 3827
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