The DOI matches its Crossref record; 6 of the 6 references it cites were found in a registry or an index.
Insights into CC Coupling in CO2 Electroreduction on Copper Electrodes
Abstract
We present a first‐principles theoretical study of carbon–carbon coupling in CO 2 electroreduction on the copper 2 1 1 surface. Using DFT, we have determined kinetic barriers to the formation of a CC bond between adsorbates derived from CO. The results of our nudged elastic band calculations demonstrate that kinetic barriers to CC coupling decrease significantly with the degree of hydrogenation of reacting adsorbates. We also show that this trend is not affected by the electrical fields present at the solid‐electrolyte interface during electrocatalysis. Our results explain how copper can catalyze the production of higher hydrocarbons and oxygenates in the electrochemical environment, despite producing only single carbon atom products in gas‐phase catalysis, and how CC bonds can be formed at room temperature in the electrochemical environment, whereas substantially higher temperatures are needed in the Fischer–Tropsch catalysis. The unique feature of the electrochemical environment is that the chemical potential of hydrogen (electrons and protons) can be varied through the applied potential. This allows a variation of the degree of hydrogenation of the reactants and thus the activation barrier for CC coupling.
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Cites
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
Nørskov, J. K., Rossmeisl, J., Logadottir, A., Lindqvist, L., Kitchin, J. R., Bligaard, T., & Jónsson, H. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp047349j · Cited by 13,153
Self-citationHow copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
Peterson, A. A., Abild-Pedersen, F., Studt, F., Rossmeisl, J., & Nørskov, J. K. (2010) · Energy & Environmental Science · doi:10.1039/c0ee00071j · Cited by 3,784
Self-citationNew insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces
Kuhl, K. P., Cave, E. R., Abram, D. N., & Jaramillo, T. F. (2012) · Energy & Environmental Science · doi:10.1039/c2ee21234j · Cited by 3,160
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The Fischer-Tropsch process: 1950-2000
Dry, M. E. (2002) · Catalysis Today · doi:10.1016/s0920-5861(01)00453-9 · Cited by 2,061
Delacourt, C., Ridgway, P. L., Kerr, J. B., & Newman, J. (2008) · Journal of The Electrochemical Society · doi:10.1149/1.2801871 · Cited by 442
Cited by
Combining theory and experiment in electrocatalysis: Insights into materials design
Seh, Z. W., Kibsgaard, J., Dickens, C. F., Chorkendorff, I., Nørskov, J. K., & Jaramillo, T. F. (2017) · Science · doi:10.1126/science.aad4998 · Cited by 12,114
Self-citationProgress and perspectives of electrochemical CO2 reduction on copper in aqueous electrolyte
Nitopi, S., Bertheussen, E., Scott, S. B., Liu, X., Engstfeld, A. K., Horch, S., Seger, B., Stephens, I. E. L., Chan, K., Hahn, C., et al. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00705 · Cited by 5,223
Self-citationElectroreduction of carbon monoxide to liquid fuel on oxide-derived nanocrystalline copper
Li, C. W., Ciston, J., & Kanan, M. W. (2014) · Nature · doi:10.1038/nature13249 · Cited by 1,728
Recent Advances in Inorganic Heterogeneous Electrocatalysts for Reduction of Carbon Dioxide
Zhu, D. D., Liu, J. L., & Qiao, S. Z. (2016) · Advanced Materials · doi:10.1002/adma.201504766 · Cited by 1,594
Ma, W., Xie, S., Liu, T., Fan, Q., Ye, J., Sun, F., Jiang, Z., Zhang, Q., Cheng, J., & Wang, Y. (2020) · Nature Catalysis · doi:10.1038/s41929-020-0450-0 · Cited by 1,468
Metadata
- Authors
- Montoya, J. H., Peterson, A. A., & Nørskov, J. K.
- Venue
- ChemCatChem
- Publisher
- Wiley
- Published
- 2013-01-31
- Volume
- 5
- Issue
- 3
- Pages
- 737-742
- ISSN
- 1867-3880 (ISSN-L)
- 1867-3899
- OpenAlex
- W2106139303
- Cited by
- 433
- References
- 6
- FWCI
- 7.33
- Type
- journal article
- Language
- en
- Open access
- closed
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