How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
Abstract
Density functional theory calculations explain copper's unique ability to convert CO2 into hydrocarbons, which may open up (photo-)electrochemical routes to fuels.
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There has been increasing mechanistic understanding and many encouraging signs of experimental progress on the complicated multi-electron and multi-proton transfer reaction system of electrochemical CO2RR.
“There has been increasing mechanistic understanding as well as many encouraging signs of experimental progress on this complicated multi-electron and multi-proton transfer reaction system.192,315,322, 323, 324, 325, 326”
From Technologies and perspectives for achieving carbon neutrality (2021) · cites this paper as [324]
To include solvation effects, the adsorption energies calculated in the vacuum approach were corrected by 0.1 eV for CO and CHO, 0.45 eV for OH, and 0.25 eV for R-OH.
“To include solvation effects, such as hydrogen bonding, the adsorption energies calculated in this approach were corrected by 0.1 eV for CO and CHO, 0.45 eV for OH, and 0.25 eV for R-OH, where R denotes a hydrocarbon.[31][32][33]”
From Electrochemical CO <sub>2</sub> Reduction into Chemical Feedstocks: From Mechanistic Electrocatalysis Models to System Design (2019) · cites this paper as [32]
The predicted theoretical limiting potential for CH3OH production using Pt@dv-Gr is significantly less negative than any catalysts that produce CH4 or CH3OH in the literature, whether synthesized (-0.5 to -1.0 V) or predicted (-0.3 to -1.0 V).
“In particular, as in the free energy diagram shown in Fig. 4 in detail, the predicted theoretical limiting potential (U L) for CH3OH production using Pt@dv-Gr is significantly less negative than any catalysts that produce CH4 or CH3OH in the literature, synthesized (–0.5 to –1.0 V)35,37,38 or predicted (–0.3 V to –1.0 V).4,6,39,40”
From Single-atom catalysts for CO <sub>2</sub> electroreduction with significant activity and selectivity improvements (2017) · cites this paper as [6]
A strong correlation between binding energies of various reaction intermediates on transition metals and a lack of ability to independently control them poses a significant intrinsic limitation in developing suitable catalysts for large-scale commercialization of the CO2 reduction reaction.
“general understanding at present is that a strong correlation between binding energies of various reaction intermediates on transition metals and a lack of ability to independently control them poses a significant intrinsic limitation in developing suitable catalysts for large-scale commercialization of the CO2 reduction reaction.”
From Single-atom catalysts for CO <sub>2</sub> electroreduction with significant activity and selectivity improvements (2017) · cites this paper as [6]
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Advanced manufacturing for electrosynthesis of fuels and chemicals from CO <sub>2</sub>
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Machine Learning‐Assisted Design of Nitrogen‐Rich Covalent Triazine Frameworks Photocatalysts
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- Authors
- Peterson, A. A., Abild-Pedersen, F., Studt, F., Rossmeisl, J., & Nørskov, J. K.
- Affiliations
- Technical University of Denmark (DK)
- Corresponding author
- Nørskov, Jens K.
- Venue
- Energy & Environmental Science
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2010
- Volume
- 3
- Issue
- 9
- Pages
- 1311
- ISSN
- 1754-5692 (ISSN-L)
- 1754-5706
- OpenAlex
- W2060023027
- Cited by
- 3,784
- References
- 35
- Citations by year
- 2026: 328 · 2025: 412 · 2024: 448 · 2023: 427 · 2022: 432 · 2021: 365 · 2020: 338 · 2019: 257 · 2018: 226 · 2017: 164 · 2016: 133 · 2015: 103 · 2014: 64 · 2013: 43 · 2012: 28
- FWCI
- 13.04
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Energy & Environmental Science (publishedVersion)
- Technical University of Denmark, DTU Orbit (Technical University of Denmark, DTU) (submittedVersion)
- Funders
- U.S. Department of Energy (DESC0001060)
- Division of Chemistry
- Topics
- Physical Sciences › Energy › Renewable Energy, Sustainability and the Environment › CO2 Reduction Techniques and Catalysts
- Physical Sciences › Chemical Engineering › Catalysis › Catalysts for Methane Reforming
- Physical Sciences › Chemical Engineering › Process Chemistry and Technology › Carbon dioxide utilization in catalysis
- Keywords
- copper catalysis, carbon dioxide electroreduction, CO2 to hydrocarbons, hydrocarbon fuels, photoelectrochemical CO2 reduction, electrocatalysis, reaction mechanism
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