Theoretical Considerations on the Electroreduction of CO to C 2 Species on Cu(100) Electrodes
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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Early CO dimerization was proposed as a pathway for CO reduction to ethylene, ethanol, and acetaldehyde.
“Consequently, early CO dimerization was proposed as a pathway for CO reduction to ethylene (Figure 2, red pathways), ethanol (Figure 2, blue pathways), and acetaldehyde.[55]”
From Electrochemical CO <sub>2</sub> Reduction into Chemical Feedstocks: From Mechanistic Electrocatalysis Models to System Design (2019) · cites this paper as [55]
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- Authors
- Calle‐Vallejo, F., & Koper, M. T. M.
- Affiliations
- Leiden University (NL)
- Corresponding author
- 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
- 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
- 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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