The DOI matches its Crossref record; 279 of the 279 references it cites were found in a registry or an index.
Theoretical Insights into Heterogeneous (Photo)electrochemical CO2Reduction
Abstract
Electrochemical and photoelectrochemical CO 2 reduction technologies offer the promise of zero-carbon-emission renewable fuels needed for heavy-duty transportation. However, the inert nature of the CO 2 molecule poses a fundamental challenge that must be overcome before efficient (photo)electrochemical CO 2 reduction at scale will be achieved. Optimal catalysts exhibit enduring stability, fast kinetics, high selectivity, and low manufacturing cost. Identifying catalytic mechanisms of CO 2 reduction in (photo)electrochemical systems could accelerate design of efficient catalysts. In recent decades, numerous theoretical studies have contributed to our understanding of CO 2 reduction pathways and identifying rate-limiting steps. Although a significant body of work exists regarding homogeneous electrocatalysis for CO 2 reduction, this review focuses specifically on the theory of heterogeneous (photo)electrochemical reduction. We first give an overview of the relevant thermodynamics and semiconductor physics. We then introduce important, widely used theoretical techniques and modeling approaches to catalysis. Recent progress in elucidating mechanisms of heterogeneous (photo)electrochemical CO 2 reduction is discussed through the lens of two experimental systems: pyridine (Py)-catalyzed CO 2 (photo)electrochemical reduction at p-GaP photoelectrodes and electrochemical CO 2 reduction at Cu electrodes. We close by proposing strategies and principles for the future design of (photo)electrochemical catalysts to improve the selectivity and reaction kinetics of CO 2 reduction.
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“The onset potential and potential-determining steps ascertained from thermodynamic computations are useful in determining the catalytic activity toward a certain reduction product based on linear scaling relations and the volcano model (Sabatier's principle).328,329”
From Technologies and perspectives for achieving carbon neutrality (2021) · cites this paper as [329]
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Metadata
- Authors
- Xu, S., & Carter, E. A.
- Affiliations
- Princeton University (US)
- Corresponding author
- Carter, Emily A.
- Venue
- Chemical Reviews
- Publisher
- American Chemical Society (ACS)
- Published
- 2018-12-18
- Volume
- 119
- Issue
- 11
- Pages
- 6631-6669
- ISSN
- 0009-2665 (ISSN-L)
- 1520-6890
- OpenAlex
- W2903681646
- Cited by
- 652
- References
- 278
- Citations by year
- 2026: 63 · 2025: 85 · 2024: 97 · 2023: 107 · 2022: 111 · 2021: 104 · 2020: 63 · 2019: 22
- FWCI
- 2.54
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Chemical Reviews (publishedVersion)
- PubMed (publishedVersion)
- Funders
- Air Force Office of Scientific Research (FA9550-14-1-0254)
- Topics
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › CO2 Reduction Techniques and Catalysts
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › Advanced Photocatalysis Techniques
- Physical Sciences › Chemical Engineering › Catalysis › Catalysts for Methane Reforming
- Keywords
- CO2 reduction, photoelectrochemical CO2 reduction, electrochemical CO2 reduction, heterogeneous catalysis, catalytic mechanism, copper electrode, reaction kinetics, selectivity, catalyst design, semiconductor physics, reaction thermodynamics
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