Cited by 311CO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionAdvanced Photocatalysis Techniques

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Molybdenum Sulfides and Selenides as Possible Electrocatalysts for CO 2 Reduction

Chan, Karen, Tsai, Charlie, Hansen, Heine A., Nørskov, Jens K.·2014·ChemCatChem

DOI 10.1002/cctc.201402128

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Abstract

Linear scaling relations between reaction intermediates pose a fundamental limitation to the CO 2 reduction activity of transition‐metal catalysts. To design improved catalysts, we propose to break these scaling relations by binding key reaction intermediates to different sites. Using density functional theory, we demonstrate this principle in the active edge sites in MoS 2 , MoSe 2 , and Ni‐doped MoS 2 . These edges show the unique property of selectively binding COOH and CHO to bridging S or Se atoms and CO to the metal atom. DFT calculations suggest a significant improvement in CO 2 reduction activity over the transition metals. Our results point to the broader application of the active edge sites of transition‐metal dichalcogenides in complex electrochemical processes.

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Authors: Chan, K., Tsai, C., Hansen, H. A., & Nørskov, J. K.
Affiliations: Stanford University (US)
SLAC National Accelerator Laboratory (US)
Corresponding author: Nørskov, Jens K.
ORCID: Chan, Karen
Tsai, Charlie
Hansen, Heine A.
Nørskov, Jens K.
Venue: ChemCatChem
Publisher: Wiley
Published: 2014-07
Volume: 6
Issue: 7
Pages: 1899-1905
ISSN: 1867-3880 (ISSN-L)
1867-3899
DOI: 10.1002/cctc.201402128
OpenAlex: W2023137992
Cited by: 311
References: 44
Citations by year: 2026: 16 · 2025: 16 · 2024: 23 · 2023: 29 · 2022: 36 · 2021: 36 · 2020: 32 · 2019: 40 · 2018: 27 · 2017: 17 · 2016: 18 · 2015: 13 · 2014: 7
FWCI: 6.05
Type: journal article
Language: en
Open access: closed
Licence: onlinelibrary.wiley.com/termsAndConditions#vor (vor)
Locations: ChemCatChem (publishedVersion)
Funders: National Science Foundation
Multidisciplinary University Research Initiative
Air Force Office of Scientific Research
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 › Energy › Renewable Energy, Sustainability and the Environment › Advanced Photocatalysis Techniques
Keywords: CO2 reduction, molybdenum sulfide, molybdenum selenide, transition metal dichalcogenides, edge sites, electrocatalysts, scaling laws, reaction intermediates

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Molybdenum Sulfides and Selenides as Possible Electrocatalysts for CO 2 Reduction

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