Cited by 652CO2 Reduction Techniques and CatalystsAdvanced Photocatalysis TechniquesCatalysts for Methane Reforming

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Theoretical Insights into Heterogeneous (Photo)electrochemical CO2Reduction

Xu, Shenzhen, Carter, Emily A.·2019·Chemical Reviews

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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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Authors: Xu, S., & Carter, E. A.
Affiliations: Princeton University (US)
Corresponding author: Carter, Emily A.
ORCID: Xu, Shenzhen
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
DOI: 10.1021/acs.chemrev.8b00481
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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Theoretical Insights into Heterogeneous (Photo)electrochemical CO2Reduction

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