Proton-coupled electron transfer in the electrocatalysis of CO2 reduction: prediction of sequential vs. concerted pathways using DFT

We provide a complete and computationally detailed picture of the mechanism of the initial stages of the electrocatalytic reduction of CO2 in water catalysed by cobalt porphyrin complexes.

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Proton-Coupled-Electron Transfer Enhances the Electrocatalytic Reduction of Nitrite to NO in a Bioinspired Copper Complex

ECS Meeting Abstracts ◽

10.1149/ma2019-02/45/2089 ◽

2019 ◽

Keyword(s):

Electron Transfer ◽

Copper Complex ◽

Electrocatalytic Reduction ◽

Proton Coupled Electron Transfer

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Revisiting Understanding of Electrochemical CO2 Reduction on Cu(111): Competing Proton-Coupled Electron Transfer Reaction Mechanisms Revealed by Embedded Correlated Wavefunction Theory

Journal of the American Chemical Society ◽

10.1021/jacs.1c00880 ◽

2021 ◽

Vol 143 (16) ◽

pp. 6152-6164

Author(s):

Qing Zhao ◽

John Mark P. Martirez ◽

Emily A. Carter

Keyword(s):

Electron Transfer ◽

Reaction Mechanisms ◽

Transfer Reaction ◽

Co2 Reduction ◽

Electron Transfer Reaction ◽

Proton Coupled Electron Transfer ◽

Electrochemical Co2 Reduction

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Sulfur Boosting CO2 Reduction Activity of Bismuth Subcarbonate Nanosheets via Promoting Proton-Coupled Electron Transfer

Applied Surface Science ◽

10.1016/j.apsusc.2021.150197 ◽

2021 ◽

pp. 150197

Author(s):

Jing Wang ◽

Jiating Mao ◽

Xiaoli Zheng ◽

Yannan Zhou ◽

Qun Xu

Keyword(s):

Electron Transfer ◽

Co2 Reduction ◽

Proton Coupled Electron Transfer ◽

Reduction Activity

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Concertedness in proton-coupled electron transfer cleavages of carbon–metal bonds illustrated by the reduction of an alkyl cobalt porphyrin

Chemical Science ◽

10.1039/c2sc21788k ◽

2013 ◽

Vol 4 (2) ◽

pp. 819-823 ◽

Cited By ~ 15

Author(s):

Cyrille Costentin ◽

Guillaume Passard ◽

Marc Robert ◽

Jean-Michel Savéant

Keyword(s):

Electron Transfer ◽

Cobalt Porphyrin ◽

Proton Coupled Electron Transfer ◽

Metal Bonds

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Proton-coupled electron transfer in the reduction of diiron hexacarbonyl complexes and its enhancement on the electrocatalytic reduction of protons by a pendant basic group

Dalton Transactions ◽

10.1039/c9dt02058f ◽

2019 ◽

Vol 48 (36) ◽

pp. 13711-13718 ◽

Cited By ~ 7

Author(s):

Wei Zhong ◽

Li Wu ◽

Weidong Jiang ◽

Yulong Li ◽

Natarajan Mookan ◽

...

Keyword(s):

Electron Transfer ◽

Electrocatalytic Reduction ◽

Proton Reduction ◽

Basic Group ◽

Proton Coupled Electron Transfer ◽

Proton Relay ◽

Kinetic Resistance

The pendant basic groups in a diiron complex acted as proton relay to ease the kinetic resistance in proton reduction and enhance proton-coupled electron transfer (PCET).

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