Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane
Abstract
Electroreduction of carbon dioxide to hydrocarbons and oxygenates on copper involves reduction to a carbon monoxide adsorbate followed by further transformation to hydrocarbons and oxygenates. Simultaneous improvement of these processes over a single reactive site is challenging due to the linear scaling relationship of the binding strength of key intermediates. Herein, we report improved electroreduction of carbon dioxide by exploiting a one-pot tandem catalysis mechanism based on computational and electrochemical investigations. By constructing a well-defined copper-modified silver surface, adsorbed carbon monoxide generated on the silver sites is proposed to migrate to surface copper sites for the subsequent reduction to methane, which is consistent with insights gained from operando attenuated total reflectance surface enhanced infrared absorption spectroscopic investigations. Our results provide a promising approach for designing carbon dioxide electroreduction catalysts to enable one-pot reduction of products beyond carbon monoxide and formate.
- Authors:
-
- Tsinghua Univ., Beijing (China)
- Univ. of Delaware, Newark, DE (United States)
- Columbia Univ., New York, NY (United States)
- California Institute of Technology (CalTech), Pasadena, CA (United States)
- National Cheng Kung Univ., Tainan City (Taiwan)
- Publication Date:
- Research Org.:
- California Institute of Technology (CalTech), Pasadena, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1610780
- Grant/Contract Number:
- SC0004993
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nature Communications
- Additional Journal Information:
- Journal Volume: 10; Journal Issue: 1; Journal ID: ISSN 2041-1723
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 59 BASIC BIOLOGICAL SCIENCES; Science & Technology - Other Topics; Microbiology
Citation Formats
Zhang, Haochen, Chang, Xiaoxia, Chen, Jingguang G., Goddard, William A., Xu, Bingjun, Cheng, Mu-Jeng, and Lu, Qi. Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane. United States: N. p., 2019.
Web. doi:10.1038/s41467-019-11292-9.
Zhang, Haochen, Chang, Xiaoxia, Chen, Jingguang G., Goddard, William A., Xu, Bingjun, Cheng, Mu-Jeng, & Lu, Qi. Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane. United States. https://doi.org/10.1038/s41467-019-11292-9
Zhang, Haochen, Chang, Xiaoxia, Chen, Jingguang G., Goddard, William A., Xu, Bingjun, Cheng, Mu-Jeng, and Lu, Qi. Fri .
"Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane". United States. https://doi.org/10.1038/s41467-019-11292-9. https://www.osti.gov/servlets/purl/1610780.
@article{osti_1610780,
title = {Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane},
author = {Zhang, Haochen and Chang, Xiaoxia and Chen, Jingguang G. and Goddard, William A. and Xu, Bingjun and Cheng, Mu-Jeng and Lu, Qi},
abstractNote = {Electroreduction of carbon dioxide to hydrocarbons and oxygenates on copper involves reduction to a carbon monoxide adsorbate followed by further transformation to hydrocarbons and oxygenates. Simultaneous improvement of these processes over a single reactive site is challenging due to the linear scaling relationship of the binding strength of key intermediates. Herein, we report improved electroreduction of carbon dioxide by exploiting a one-pot tandem catalysis mechanism based on computational and electrochemical investigations. By constructing a well-defined copper-modified silver surface, adsorbed carbon monoxide generated on the silver sites is proposed to migrate to surface copper sites for the subsequent reduction to methane, which is consistent with insights gained from operando attenuated total reflectance surface enhanced infrared absorption spectroscopic investigations. Our results provide a promising approach for designing carbon dioxide electroreduction catalysts to enable one-pot reduction of products beyond carbon monoxide and formate.},
doi = {10.1038/s41467-019-11292-9},
journal = {Nature Communications},
number = 1,
volume = 10,
place = {United States},
year = {Fri Jul 26 00:00:00 EDT 2019},
month = {Fri Jul 26 00:00:00 EDT 2019}
}
Web of Science
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The Central Role of Bicarbonate in the Electrochemical Reduction of Carbon Dioxide on Gold
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Activity Descriptors for CO 2 Electroreduction to Methane on Transition-Metal Catalysts
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The Evolution of the Polycrystalline Copper Surface, First to Cu(111) and Then to Cu(100), at a Fixed CO 2 RR Potential: A Study by Operando EC-STM
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Understanding trends in electrochemical carbon dioxide reduction rates
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- Liu, Xinyan; Xiao, Jianping; Peng, Hongjie
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A selective and efficient electrocatalyst for carbon dioxide reduction
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Synergistic geometric and electronic effects for electrochemical reduction of carbon dioxide using gold–copper bimetallic nanoparticles
journal, September 2014
- Kim, Dohyung; Resasco, Joaquin; Yu, Yi
- Nature Communications, Vol. 5, Issue 1
pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper
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- Liu, Xinyan; Schlexer, Philomena; Xiao, Jianping
- Nature Communications, Vol. 10, Issue 1
Catalyst electro-redeposition controls morphology and oxidation state for selective carbon dioxide reduction
journal, January 2018
- De Luna, Phil; Quintero-Bermudez, Rafael; Dinh, Cao-Thang
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Improved CO2 reduction activity towards C2+ alcohols on a tandem gold on copper electrocatalyst
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New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces
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Catalysis for CO2 conversion: a key technology for rapid introduction of renewable energy in the value chain of chemical industries
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Production of Methane and Ethylene in Electrochemical Reduction of Carbon Dioxide at Copper Electrode in Aqueous Hydrogencarbonate Solution
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Effect of electrolysis parameters on the morphologies of copper powder obtained at high current densities
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Theoretical analysis of doped graphene as cathode catalyst in Li-O2 and Na-O2 batteries -- the impact of the computational scheme
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- arXiv