Electric Field Effects in Electrochemical CO 2 Reduction
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Electrochemical reduction of CO 2 has the potential to reduce greenhouse gas emissions while providing energy storage and producing chemical feedstocks. A mechanistic understanding of the process is crucial to the discovery of efficient catalysts, and an atomistic description of the electrochemical interface is a major challenge due to its complexity. Here, we examine the CO 2 → CO electrocatalytic pathway on Ag(111) using density functional theory (DFT) calculations and an explicit model of the electrochemical interface. We show that the electric field from solvated cations in the double layer and their corresponding image charges on the metal surface significantly stabilizes key intermediates—*CO 2 and *COOH. At the field-stabilized sites, the formation of *CO is rate-determining. We present a microkinetic model that incorporates field effects and electrochemical barriers from ab initio calculations. The computed polarization curves show reasonable agreement with experiment without fitting any parameters.
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Several microkinetic models on Ag and Cu have been proposed.
“Several microkinetic models on Ag [69] and Cu [34] have been proposed”
From Electrochemical CO <sub>2</sub> Reduction into Chemical Feedstocks: From Mechanistic Electrocatalysis Models to System Design (2019) · cites this paper as [69]
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- Authors
- Chen, L. D., Urushihara, M., Chan, K., & Nørskov, J. K.
- Affiliations
- SLAC National Accelerator Laboratory (US)
- Mitsubishi Materials (Japan) (JP)
- Corresponding author
- Nørskov, Jens K.
- Venue
- ACS Catalysis
- Publisher
- American Chemical Society (ACS)
- Published
- 2016-09-26
- Volume
- 6
- Issue
- 10
- Pages
- 7133-7139
- ISSN
- 2155-5435 (ISSN-L)
- OpenAlex
- W2522135447
- Cited by
- 702
- References
- 62
- Citations by year
- 2026: 85 · 2025: 115 · 2024: 104 · 2023: 80 · 2022: 75 · 2021: 66 · 2020: 56 · 2019: 49 · 2018: 45 · 2017: 25 · 2016: 2
- FWCI
- 10.93
- Type
- journal article
- Language
- en
- Open access
- green
- www.osti.gov
- Locations
- ACS Catalysis (publishedVersion)
- OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) (submittedVersion)
- Funders
- Basic Energy Sciences
- Office of Science (DE-SC0004993)
- Natural Sciences and Engineering Research Council of Canada
- Topics
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › CO2 Reduction Techniques and Catalysts
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › Electrocatalysts for Energy Conversion
- Physical Sciences › Chemical Engineering › Catalysis › Catalysts for Methane Reforming
- Keywords
- electrochemical CO2 reduction, electric field effects, Ag(111), electric double layer, image charges, intermediate stabilization, microkinetic model, polarization curves, electrochemical interfaces
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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