Theoretical Insights into the Activation and Conversion of Electrochemical CO2 Reduction on 3d Transition Metal‐Doped Cu(111) Stepped Structures

Theoretical Insights into the Activation and Conversion of Electrochemical CO2 Reduction on 3d Transition Metal‐Doped Cu(111) Stepped Structures

The activation of CO2 is essential for efficient electrochemical conversion, yet its weak physisorption on pristine Cu surfaces severely hinders catalytic performance. To overcome this limitation, we designed Cu stepped structures to create highly reactive sites for enhanced CO2 adsorption and furth...

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Bibliographic Details
Main Authors: Lihong Yin, Jinxian Feng, Weng Fai Ip, Guangfu Luo, Hui Pan
Format: Article
Language:English
Published: Wiley-VCH 2025-07-01
Series:ChemElectroChem
Subjects:
CO2 activation
Cu stepped surfaces
density functional theory
transition metal doping
Online Access:https://doi.org/10.1002/celc.202500095
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