Cited by 941CO2 Reduction Techniques and CatalystsCatalysts for Methane ReformingElectrocatalysts for Energy Conversion

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Theoretical Considerations on the Electroreduction of CO to C 2 Species on Cu(100) Electrodes

Calle‐Vallejo, Federico, Koper, Marc T. M.·2013·Angewandte Chemie International Edition

DOI 10.1002/anie.201301470

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Abstract

CO-products: DFT calculations are used to construct a mechanism for the electrochemical reduction of CO on Cu(100) that agrees with the experimental observations (see picture) of pH independence in the formation of C2 species. The rate-determining step is an electron-transfer-mediated CO dimerization. Ethylene, acetaldehyde, and ethanol are formed through a common pathway, and adsorbed ethylene oxide is one of the reaction intermediates.

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Authors: Calle‐Vallejo, F., & Koper, M. T. M.
Affiliations: Leiden University (NL)
Corresponding author: Koper, Marc T. M.
ORCID: Calle‐Vallejo, Federico
Koper, Marc T. M.
Venue: Angewandte Chemie International Edition
Publisher: Wiley
Published: 2013-06-03
Volume: 52
Issue: 28
Pages: 7282-7285
ISSN: 1433-7851 (ISSN-L)
1521-3773
DOI: 10.1002/anie.201301470
OpenAlex: W2158532118
Cited by: 941
References: 31
Citations by year: 2026: 59 · 2025: 106 · 2024: 106 · 2023: 102 · 2022: 104 · 2021: 95 · 2020: 92 · 2019: 80 · 2018: 60 · 2017: 49 · 2016: 43 · 2015: 30 · 2014: 12 · 2013: 3
FWCI: 10.65
Type: journal article
Language: en
Open access: closed
Licence: onlinelibrary.wiley.com/termsAndConditions#vor (vor)
Locations: Angewandte Chemie International Edition (publishedVersion)
PubMed (publishedVersion)
Topics: Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › CO2 Reduction Techniques and Catalysts
Physical Sciences › Chemical Engineering › Catalysis › Catalysts for Methane Reforming
Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › Electrocatalysts for Energy Conversion
Keywords: CO dimerization, C2+ products, reaction mechanism, rate-determining step, electron transfer, ethylene, acetaldehyde, ethanol, pH independence, adsorbed intermediates

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Theoretical Considerations on the Electroreduction of CO to C 2 Species on Cu(100) Electrodes

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