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Cited by 509Electrocatalysts for Energy ConversionCO2 Reduction Techniques and CatalystsAdvanced Photocatalysis Techniques

Competition between CO 2 Reduction and H 2 Evolution on Transition-Metal Electrocatalysts

Zhang, Yin-Jia, Sethuraman, Vijay, Michalsky, Ronald, Peterson, Andrew A.·2014·ACS Catalysis
DOI 10.1021/cs5012298
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Abstract

The well-known hydrogen evolution reaction (HER) volcano plot describes the relationship between H binding energy and the corresponding hydrogen evolution catalytic activity, which depends on the species of metal. Under CO 2 /CO reduction conditions or in cases where CO impurities enter electrodes, the catalyst may exist under a high coverage of coadsorbed CO. We present DFT calculations that suggest that coadsorbed CO during hydrogen evolution will weaken the binding strength between H and the catalyst surface. For metals on the right-hand side (too weak of hydrogen binding) this should lead to a suppression of the HER, as has been reported for metals such as Cu and Pt. However, for metals on the left-hand side of the volcano (too strong of hydrogen binding), this may actually enhance the kinetics of the hydrogen evolution reaction, although this effect will be countered by a decreased availability of sites for HER, which are blocked by CO. We performed experiments in Ar and CO 2 environments of two representative metals that bind CO on the far right- and left-hand side of the volcano, namely, Cu and Mo (respectively). On Cu, we find that the CO 2 environment suppresses HER, which is consistent with previous findings. However, on Mo we find that the CO 2 environment enhances HER in the kinetically active region. This helps to explain the outstanding performance of copper in CO 2 reduction and suggests that searches for high-selectivity CO 2 /CO reduction catalysts may benefit from focusing on the right-hand side of the HER volcano. This also suggests principles for assessing the activity of catalysts for fuel cell and electrolysis reactions in which impurities such as CO may be present.

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  • The origin of dominant H2 production during CO2 reduction on strong *CO binding catalysts such as Ni and Pt has been suggested to be that *H binding energies shift toward being weaker as *CO coverage increases due to repulsive interaction between *CO and *H, making Ni and Pt more active for HER.

    “The origin of the dominant H2 production during the CO2 reduction reaction has been suggested to be that for strong *CO binding catalysts such as Ni and Pt, the *H binding energies shift toward being weaker as the coverage of *CO increases due to a repulsive interaction between *CO and *H. This then makes Ni and Pt catalysts more active for the HER”

    From Single-atom catalysts for CO <sub>2</sub> electroreduction with significant activity and selectivity improvements (2017) · cites this paper as [36]

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Authors
Zhang, Y.-J., Sethuraman, V., Michalsky, R., & Peterson, A. A.
Affiliations
Brown University (US)
Corresponding author
Peterson, Andrew A.
ORCID
Venue
ACS Catalysis
Publisher
American Chemical Society (ACS)
Published
2014-09-23
Volume
4
Issue
10
Pages
3742-3748
ISSN
2155-5435 (ISSN-L)
DOI
10.1021/cs5012298
OpenAlex
W2554225655
Cited by
509
References
44
Citations by year
2026: 31 · 2025: 49 · 2024: 64 · 2023: 64 · 2022: 55 · 2021: 57 · 2020: 50 · 2019: 42 · 2018: 40 · 2017: 23 · 2016: 19 · 2015: 15
FWCI
6.27
Type
journal article
Language
en
Open access
closed
Locations
ACS Catalysis (publishedVersion)
Funders
Office of Naval Research (N00014-12-1-0851)
Topics
  • Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › Electrocatalysts for Energy Conversion
  • 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
Keywords
hydrogen evolution reaction, CO2 reduction, CO adsorption, transition metal electrocatalysts, hydrogen binding energy, copper catalysts, molybdenum catalysts, catalyst poisoning, Co impurities, electrocatalysis

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