Theoretical Modeling of Electrochemical Proton-Coupled Electron Transfer

Volume: 122, Issue: 12, Pages: 10599 - 10650
Published: Mar 1, 2022
Abstract
Proton-coupled electron transfer (PCET) plays an essential role in a wide range of electrocatalytic processes. A vast array of theoretical and computational methods have been developed to study electrochemical PCET. These methods can be used to calculate redox potentials and pKa values for molecular electrocatalysts, proton-coupled redox potentials and bond dissociation free energies for PCET at metal and semiconductor interfaces, and...
Paper Details
Title
Theoretical Modeling of Electrochemical Proton-Coupled Electron Transfer
Published Date
Mar 1, 2022
Volume
122
Issue
12
Pages
10599 - 10650
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