Chemical Reviews, volume 119, issue 11, pages 6631-6669
Theoretical Insights into Heterogeneous (Photo)electrochemical CO2 Reduction
Shenzhen Xu
1
,
2
Andlinger Center for Energy & the Environment
Publication type: Journal Article
Publication date: 2018-12-18
Journal:
Chemical Reviews
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 62.1
ISSN: 00092665, 15206890
General Chemistry
Abstract
Electrochemical and photoelectrochemical CO2 reduction technologies offer the promise of zero-carbon-emission renewable fuels needed for heavy-duty transportation. However, the inert nature of the CO2 molecule poses a fundamental challenge that must be overcome before efficient (photo)electrochemical CO2 reduction at scale will be achieved. Optimal catalysts exhibit enduring stability, fast kinetics, high selectivity, and low manufacturing cost. Identifying catalytic mechanisms of CO2 reduction in (photo)electrochemical systems could accelerate design of efficient catalysts. In recent decades, numerous theoretical studies have contributed to our understanding of CO2 reduction pathways and identifying rate-limiting steps. Although a significant body of work exists regarding homogeneous electrocatalysis for CO2 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 CO2 reduction is discussed through the lens of two experimental systems: pyridine (Py)-catalyzed CO2 (photo)electrochemical reduction at p-GaP photoelectrodes and electrochemical CO2 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 CO2 reduction.
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Citations by publishers
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Xu S., Carter E. A. Theoretical Insights into Heterogeneous (Photo)electrochemical CO2 Reduction // Chemical Reviews. 2018. Vol. 119. No. 11. pp. 6631-6669.
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Xu S., Carter E. A. Theoretical Insights into Heterogeneous (Photo)electrochemical CO2 Reduction // Chemical Reviews. 2018. Vol. 119. No. 11. pp. 6631-6669.
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TY - JOUR
DO - 10.1021/acs.chemrev.8b00481
UR - https://doi.org/10.1021/acs.chemrev.8b00481
TI - Theoretical Insights into Heterogeneous (Photo)electrochemical CO2 Reduction
T2 - Chemical Reviews
AU - Carter, Emily A.
AU - Xu, Shenzhen
PY - 2018
DA - 2018/12/18 00:00:00
PB - American Chemical Society (ACS)
SP - 6631-6669
IS - 11
VL - 119
SN - 0009-2665
SN - 1520-6890
ER -
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@article{2018_Xu,
author = {Emily A. Carter and Shenzhen Xu},
title = {Theoretical Insights into Heterogeneous (Photo)electrochemical CO2 Reduction},
journal = {Chemical Reviews},
year = {2018},
volume = {119},
publisher = {American Chemical Society (ACS)},
month = {dec},
url = {https://doi.org/10.1021/acs.chemrev.8b00481},
number = {11},
pages = {6631--6669},
doi = {10.1021/acs.chemrev.8b00481}
}
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Xu, Shenzhen, and Emily A. Carter. “Theoretical Insights into Heterogeneous (Photo)electrochemical CO2 Reduction.” Chemical Reviews, vol. 119, no. 11, Dec. 2018, pp. 6631-6669. https://doi.org/10.1021/acs.chemrev.8b00481.