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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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“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 2 Reduction into Chemical Feedstocks: From Mechanistic Electrocatalysis Models to System Design (2019) · cites this paper as [55]
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Metadata
- 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
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
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