Understanding trends in electrochemical carbon dioxide reduction rates
Abstract
Electrochemical carbon dioxide reduction to fuels presents one of the great challenges in chemistry. Herein we present an understanding of trends in electrocatalytic activity for carbon dioxide reduction over different metal catalysts that rationalize a number of experimental observations including the selectivity with respect to the competing hydrogen evolution reaction. We also identify two design criteria for more active catalysts. The understanding is based on density functional theory calculations of activation energies for electrochemical carbon monoxide reduction as a basis for an electrochemical kinetic model of the process. Furthermore, we develop scaling relations relating transition state energies to the carbon monoxide adsorption energy and determine the optimal value of this descriptor to be very close to that of copper.
- Authors:
-
- SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)
- Stanford Univ., Stanford, CA (United States); Tsinghua Univ., Beijing (China)
- Stanford Univ., Stanford, CA (United States); Zhejiang Univ., Hangzhou (China)
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Publication Date:
- Research Org.:
- SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1368688
- Grant/Contract Number:
- AC02-76SF00515
- Resource Type:
- Journal Article: Accepted Manuscript
- Journal Name:
- Nature Communications
- Additional Journal Information:
- Journal Volume: 8; Journal ID: ISSN 2041-1723
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; electrocatalysis; electrochemistry
Citation Formats
Liu, Xinyan, Xiao, Jianping, Peng, Hongjie, Hong, Xin, Chan, Karen, and Norskov, Jens K. Understanding trends in electrochemical carbon dioxide reduction rates. United States: N. p., 2017.
Web. doi:10.1038/ncomms15438.
Liu, Xinyan, Xiao, Jianping, Peng, Hongjie, Hong, Xin, Chan, Karen, & Norskov, Jens K. Understanding trends in electrochemical carbon dioxide reduction rates. United States. https://doi.org/10.1038/ncomms15438
Liu, Xinyan, Xiao, Jianping, Peng, Hongjie, Hong, Xin, Chan, Karen, and Norskov, Jens K. 2017.
"Understanding trends in electrochemical carbon dioxide reduction rates". United States. https://doi.org/10.1038/ncomms15438. https://www.osti.gov/servlets/purl/1368688.
@article{osti_1368688,
title = {Understanding trends in electrochemical carbon dioxide reduction rates},
author = {Liu, Xinyan and Xiao, Jianping and Peng, Hongjie and Hong, Xin and Chan, Karen and Norskov, Jens K.},
abstractNote = {Electrochemical carbon dioxide reduction to fuels presents one of the great challenges in chemistry. Herein we present an understanding of trends in electrocatalytic activity for carbon dioxide reduction over different metal catalysts that rationalize a number of experimental observations including the selectivity with respect to the competing hydrogen evolution reaction. We also identify two design criteria for more active catalysts. The understanding is based on density functional theory calculations of activation energies for electrochemical carbon monoxide reduction as a basis for an electrochemical kinetic model of the process. Furthermore, we develop scaling relations relating transition state energies to the carbon monoxide adsorption energy and determine the optimal value of this descriptor to be very close to that of copper.},
doi = {10.1038/ncomms15438},
url = {https://www.osti.gov/biblio/1368688},
journal = {Nature Communications},
issn = {2041-1723},
number = ,
volume = 8,
place = {United States},
year = {Mon May 22 00:00:00 EDT 2017},
month = {Mon May 22 00:00:00 EDT 2017}
}
Web of Science
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Electrochemical processes on solid shaped nanoparticles with defined facets
journal, January 2018
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Coordinatively unsaturated nickel–nitrogen sites towards selective and high-rate CO 2 electroreduction
journal, January 2018
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CO 2 reduction on gas-diffusion electrodes and why catalytic performance must be assessed at commercially-relevant conditions
journal, January 2019
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Bio-inspired design: bulk iron–nickel sulfide allows for efficient solvent-dependent CO 2 reduction
journal, January 2019
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Stannate derived bimetallic nanoparticles for electrocatalytic CO 2 reduction
journal, January 2018
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- Journal of Materials Chemistry A, Vol. 6, Issue 17
Stepped surface-rich copper fiber felt as an efficient electrocatalyst for the CO 2 RR to formate
journal, January 2018
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- Journal of Materials Chemistry A, Vol. 6, Issue 39
Copper-modulated bismuth nanocrystals alter the formate formation pathway to achieve highly selective CO 2 electroreduction
journal, January 2018
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- Journal of Materials Chemistry A, Vol. 6, Issue 35
Establishing new scaling relations on two-dimensional MXenes for CO 2 electroreduction
journal, January 2018
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- Journal of Materials Chemistry A, Vol. 6, Issue 44
Accessing the C–C transition state energy on transition metals
journal, January 2019
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- Physical Chemistry Chemical Physics, Vol. 21, Issue 45
Theoretical insights into the effect of the overpotential on CO electroreduction mechanisms on Cu(111): regulation and application of electrode potentials from a CO coverage-dependent electrochemical model
journal, January 2020
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- Physical Chemistry Chemical Physics, Vol. 22, Issue 1
Silicon-doped graphene edges: an efficient metal-free catalyst for the reduction of CO 2 into methanol and ethanol
journal, January 2019
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- Catalysis Science & Technology, Vol. 9, Issue 23
Computational screening of M/Cu core/shell nanoparticles and their applications for the electro-chemical reduction of CO 2 and CO
journal, January 2019
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- Nanoscale, Vol. 11, Issue 23
Design of doped cesium lead halide perovskite as a photo-catalytic CO 2 reduction catalyst
journal, January 2019
- Tang, Chao; Chen, Chongyang; Xu, Weiwei
- Journal of Materials Chemistry A, Vol. 7, Issue 12
Single metal atoms regulated flexibly by a 2D InSe substrate for CO 2 reduction electrocatalysts
journal, January 2019
- Zhao, Chen-Xu; Zhang, Guo-Xu; Gao, Wang
- Journal of Materials Chemistry A, Vol. 7, Issue 14
Theoretical search for novel Au or Ag bimetallic alloys capable of transforming CO 2 into hydrocarbons
journal, January 2019
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- Journal of Materials Chemistry A, Vol. 7, Issue 36
Atomically dispersed asymmetric Cu–B pair on 2D carbon nitride synergistically boosts the conversion of CO into C 2 products
journal, January 2020
- He, Tianwei; Reuter, Karsten; Du, Aijun
- Journal of Materials Chemistry A, Vol. 8, Issue 2
The identification of optimal active boron sites for N 2 reduction
journal, January 2020
- Yin, Hui; Gan, Li-Yong; Wang, Ping
- Journal of Materials Chemistry A, Vol. 8, Issue 7
On the origin of the elusive first intermediate of CO 2 electroreduction
journal, September 2018
- Chernyshova, Irina V.; Somasundaran, Ponisseril; Ponnurangam, Sathish
- Proceedings of the National Academy of Sciences, Vol. 115, Issue 40
Selective reduction of CO to acetaldehyde with CuAg electrocatalysts
journal, January 2020
- Wang, Lei; Higgins, Drew C.; Ji, Yongfei
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High-performance functional nanocomposites using 3D ordered and continuous nanostructures generated from proximity-field nanopatterning
journal, August 2019
- Ahn, Changui; Park, Junyong; Cho, Donghwi
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Atomic Ni Anchored Covalent Triazine Framework as High Efficient Electrocatalyst for Carbon Dioxide Conversion
journal, March 2019
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- Advanced Functional Materials, Vol. 29, Issue 10
A Highly Porous Copper Electrocatalyst for Carbon Dioxide Reduction
journal, October 2018
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- Advanced Materials, Vol. 30, Issue 49
Emerging Carbon‐Based Heterogeneous Catalysts for Electrochemical Reduction of Carbon Dioxide into Value‐Added Chemicals
journal, December 2018
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A Highly Active Star Decahedron Cu Nanocatalyst for Hydrocarbon Production at Low Overpotentials
journal, December 2018
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Nanocrystal/Metal–Organic Framework Hybrids as Electrocatalytic Platforms for CO 2 Conversion
journal, July 2019
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Structure Sensitivity in the Electrocatalytic Reduction of CO 2 with Gold Catalysts
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Antiperovskite Intermetallic Nanoparticles for Enhanced Oxygen Reduction
journal, January 2020
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Engineering Metal–Organic Frameworks for the Electrochemical Reduction of CO 2 : A Minireview
journal, July 2019
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- Chemistry – An Asian Journal, Vol. 14, Issue 20
Porous Copper Microspheres for Selective Production of Multicarbon Fuels via CO 2 Electroreduction
journal, August 2019
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Electrochemical Reduction of CO 2 over Heterogeneous Catalysts in Aqueous Solution: Recent Progress and Perspectives
journal, December 2018
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Structural defects on converted bismuth oxide nanotubes enable highly active electrocatalysis of carbon dioxide reduction
journal, June 2019
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Active learning across intermetallics to guide discovery of electrocatalysts for CO2 reduction and H2 evolution
journal, September 2018
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Theory-guided Sn/Cu alloying for efficient CO2 electroreduction at low overpotentials
journal, December 2018
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Electrochemically converting carbon monoxide to liquid fuels by directing selectivity with electrode surface area
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C 2 N-graphene supported single-atom catalysts for CO 2 electrochemical reduction reaction: mechanistic insight and catalyst screening
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Molecular tunability of surface-functionalized metal nanocrystals for selective electrochemical CO 2 reduction
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Machine learning for renewable energy materials
journal, January 2019
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Chemical storage of renewable energy
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Structure Sensitivity in the Electrocatalytic Reduction of CO 2 with Gold Catalysts
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Tuning Gold Nanoparticles with Chelating Ligands for Highly Efficient Electrocatalytic CO 2 Reduction
journal, August 2018
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Nano-designed semiconductors for electro- and photoelectro-catalytic conversion of carbon dioxide
journal, January 2018
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Effects of Anion Identity and Concentration on Electrochemical Reduction of CO 2
journal, February 2018
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Cu atomic chains supported on β-borophene sheets for effective CO 2 electroreduction
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Competition between H and CO for Active Sites Governs Copper-Mediated Electrosynthesis of Hydrocarbon Fuels
journal, July 2018
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Catalyst–Electrolyte Interactions in Aqueous Reline Solutions for Highly Selective Electrochemical CO 2 Reduction
journal, December 2019
- Garg, Sahil; Li, Mengran; Rufford, Thomas E.
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Cu 2 O Nanoparticles with Both {100} and {111} Facets for Enhancing the Selectivity and Activity of CO 2 Electroreduction to Ethylene
journal, March 2020
- Gao, Yugang; Wu, Qian; Liang, Xizhuang
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Copper adparticle enabled selective electrosynthesis of n-propanol
journal, November 2018
- Li, Jun; Che, Fanglin; Pang, Yuanjie
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pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper
journal, January 2019
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Structural defects on converted bismuth oxide nanotubes enable highly active electrocatalysis of carbon dioxide reduction
journal, June 2019
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- Nature Communications, Vol. 10, Issue 1
Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane
journal, July 2019
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Hydroxide promotes carbon dioxide electroreduction to ethanol on copper via tuning of adsorbed hydrogen
journal, December 2019
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Synergistic electroreduction of carbon dioxide to carbon monoxide on bimetallic layered conjugated metal-organic frameworks
journal, March 2020
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