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Title: Understanding cation effects in electrochemical CO2 reduction

Abstract

Solid–liquid interface engineering has recently emerged as a promising technique to optimize the activity and product selectivity of the electrochemical reduction of CO2. In particular, the cation identity and the interfacial electric field have been shown to have a particularly significant impact on the activity of desired products. Using a combination of theoretical and experimental investigations, we show the cation size and its resultant impact on the interfacial electric field to be the critical factor behind the ion specificity of electrochemical CO2 reduction. We present a multi-scale modeling approach that combines size-modified Poisson–Boltzmann theory with ab initio simulations of field effects on critical reaction intermediates. The model shows an unprecedented quantitative agreement with experimental trends in cation effects on CO production on Ag, C2 production on Cu, CO vibrational signatures on Pt and Cu as well as Au(111) single crystal experimental double layer capacitances. The insights obtained represent quantitative evidence for the impact of cations on the interfacial electric field. Lastly, we present design principles to increase the activity and selectivity of any field-sensitive electrochemical process based on the surface charging properties: the potential of zero charge, the ion size, and the double layer capacitance.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3];  [4]; ORCiD logo [5]; ORCiD logo [4]; ORCiD logo [6]
+ Show Author Affiliations
  1. Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Technical Univ. of Denmark (Denmark)
  3. Univ. of California, Santa Barbara, CA (United States)
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  5. Technical Univ. of Denmark (Denmark)
  6. Technical Univ. of Denmark, Kongens Lyngby (Denmark)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1576947
Alternate Identifier(s):
OSTI ID: 1542475
Grant/Contract Number:  
AC02-76SF00515; 9455; AC02-05CH11231; SC0004993
Resource Type:
Accepted Manuscript
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Journal Volume: 12; Journal Issue: 10; Journal ID: ISSN 1754-5692
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Ringe, Stefan, Clark, Ezra L., Resasco, Joaquin, Walton, Amber, Seger, Brian, Bell, Alexis T., and Chan, Karen. Understanding cation effects in electrochemical CO2 reduction. United States: N. p., 2019. Web. doi:10.1039/c9ee01341e.
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Ringe, Stefan, Clark, Ezra L., Resasco, Joaquin, Walton, Amber, Seger, Brian, Bell, Alexis T., & Chan, Karen. Understanding cation effects in electrochemical CO2 reduction. United States. https://doi.org/10.1039/c9ee01341e
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Ringe, Stefan, Clark, Ezra L., Resasco, Joaquin, Walton, Amber, Seger, Brian, Bell, Alexis T., and Chan, Karen. Wed . "Understanding cation effects in electrochemical CO2 reduction". United States. https://doi.org/10.1039/c9ee01341e. https://www.osti.gov/servlets/purl/1576947.
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@article{osti_1576947,
title = {Understanding cation effects in electrochemical CO2 reduction},
author = {Ringe, Stefan and Clark, Ezra L. and Resasco, Joaquin and Walton, Amber and Seger, Brian and Bell, Alexis T. and Chan, Karen},
abstractNote = {Solid–liquid interface engineering has recently emerged as a promising technique to optimize the activity and product selectivity of the electrochemical reduction of CO2. In particular, the cation identity and the interfacial electric field have been shown to have a particularly significant impact on the activity of desired products. Using a combination of theoretical and experimental investigations, we show the cation size and its resultant impact on the interfacial electric field to be the critical factor behind the ion specificity of electrochemical CO2 reduction. We present a multi-scale modeling approach that combines size-modified Poisson–Boltzmann theory with ab initio simulations of field effects on critical reaction intermediates. The model shows an unprecedented quantitative agreement with experimental trends in cation effects on CO production on Ag, C2 production on Cu, CO vibrational signatures on Pt and Cu as well as Au(111) single crystal experimental double layer capacitances. The insights obtained represent quantitative evidence for the impact of cations on the interfacial electric field. Lastly, we present design principles to increase the activity and selectivity of any field-sensitive electrochemical process based on the surface charging properties: the potential of zero charge, the ion size, and the double layer capacitance.},
doi = {10.1039/c9ee01341e},
journal = {Energy & Environmental Science},
number = 10,
volume = 12,
place = {United States},
year = {Wed Jul 03 00:00:00 EDT 2019},
month = {Wed Jul 03 00:00:00 EDT 2019}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1039/c9ee01341e
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Cited by: 279 works
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Figures / Tables:

Fig. 1 Fig. 1: Schematic illustration of our multi-scale modeling approach to model cation effects on field-driven electrocatalysis. The process of surface charge generation as a function of potential (left panel) is simulated by a 1D-continuum electrostatic description of the electrolyte. The ion-size modified Poisson–Boltzmann approach (MPB) enables us to model themore » effect of ion size on the generated surface charge at a fixed potential. Surface charge density dependent reaction energetics are obtained from charge-dependent DFT calculations of the rate-limiting species (right panel). Combining the results via interpolation, we obtain the catalytic activity or current density as a function of cation size and potential of zero charge at fixed applied potential.« less
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Works referenced in this record:

Improving accuracy of electrochemical capacitance and solvation energetics in first-principles calculations
journal, April 2018

  • Sundararaman, Ravishankar; Letchworth-Weaver, Kendra; Schwarz, Kathleen A.
  • The Journal of Chemical Physics, Vol. 148, Issue 14
  • DOI: 10.1063/1.5024219

A Pore-Scale Model of Oxygen Reduction in Ionomer-Free Catalyst Layers of PEFCs
journal, January 2011

  • Chan, Karen; Eikerling, Michael
  • Journal of The Electrochemical Society, Vol. 158, Issue 1
  • DOI: 10.1149/1.3505042

Electrode potential from density functional theory calculations combined with implicit solvation theory
journal, September 2018

Enhanced Carbon Dioxide Electroreduction to Carbon Monoxide over Defect-Rich Plasma-Activated Silver Catalysts
journal, August 2017

  • Mistry, Hemma; Choi, Yong-Wook; Bagger, Alexander
  • Angewandte Chemie International Edition, Vol. 56, Issue 38
  • DOI: 10.1002/anie.201704613

Engineering Cu surfaces for the electrocatalytic conversion of CO 2 : Controlling selectivity toward oxygenates and hydrocarbons
journal, May 2017

  • Hahn, Christopher; Hatsukade, Toru; Kim, Youn-Geun
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 23
  • DOI: 10.1073/pnas.1618935114

Studies of the Differential Double Layer Capacitance of the Copper (111) Face in Aqueous Solutions
journal, November 1988

  • Weidenauer, Markus; Weil, Konrad G.
  • Berichte der Bunsengesellschaft für physikalische Chemie, Vol. 92, Issue 11
  • DOI: 10.1002/bbpc.198800328

Mechanistic Insights into the Electrochemical Reduction of CO 2 to CO on Nanostructured Ag Surfaces
journal, June 2015

Modeling the electrified solid–liquid interface
journal, November 2008

The effect of various electrolyte cations on electrochemical performance of polypyrrole/RGO based supercapacitors
journal, January 2015

  • Zhu, Jianbo; Xu, Youlong; Wang, Jie
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 43
  • DOI: 10.1039/C5CP04080A

Activity and Selectivity Control in CO 2 Electroreduction to Multicarbon Products over CuO x Catalysts via Electrolyte Design
journal, September 2018

The Impact of Specifically Adsorbed Ions on the Copper-Catalyzed Electroreduction of CO 2
journal, January 2016

  • Akhade, Sneha A.; McCrum, Ian T.; Janik, Michael J.
  • Journal of The Electrochemical Society, Vol. 163, Issue 6
  • DOI: 10.1149/2.0581606jes

The structure of the electrochemical double layer: Ag(111) in alkaline electrolyte
journal, November 2011

  • Lucas, Christopher A.; Thompson, Paul; Gründer, Yvonne
  • Electrochemistry Communications, Vol. 13, Issue 11
  • DOI: 10.1016/j.elecom.2011.08.043

Promoter Effects of Alkali Metal Cations on the Electrochemical Reduction of Carbon Dioxide
journal, August 2017

  • Resasco, Joaquin; Chen, Leanne D.; Clark, Ezra
  • Journal of the American Chemical Society, Vol. 139, Issue 32
  • DOI: 10.1021/jacs.7b06765

Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvement
journal, February 2017

  • Sundararaman, Ravishankar; Schwarz, Kathleen
  • The Journal of Chemical Physics, Vol. 146, Issue 8
  • DOI: 10.1063/1.4976971

pH dependence of OER activity of oxides: Current and future perspectives
journal, March 2016

An experimental determination of absolute half‐cell emf’s and single ion free energies of solvation
journal, May 1977

  • Gomer, R.; Tryson, G.
  • The Journal of Chemical Physics, Vol. 66, Issue 10
  • DOI: 10.1063/1.433746

Understanding Surface-Mediated Electrochemical Reactions: CO 2 Reduction and Beyond
journal, July 2018

Absolute half-cell potential: A simple direct measurement
journal, August 1987

Structure Sensitivity in the Electrocatalytic Reduction of CO 2 with Gold Catalysts
journal, February 2019

  • Mezzavilla, Stefano; Horch, Sebastian; Stephens, Ifan E. L.
  • Angewandte Chemie International Edition, Vol. 58, Issue 12
  • DOI: 10.1002/anie.201811422

Optimizing mesostructured silver catalysts for selective carbon dioxide conversion into fuels
journal, January 2019

  • Suter, Silvan; Haussener, Sophia
  • Energy & Environmental Science, Vol. 12, Issue 5
  • DOI: 10.1039/C9EE00656G

Probing the Active Surface Sites for CO Reduction on Oxide-Derived Copper Electrocatalysts
journal, July 2015

  • Verdaguer-Casadevall, Arnau; Li, Christina W.; Johansson, Tobias P.
  • Journal of the American Chemical Society, Vol. 137, Issue 31
  • DOI: 10.1021/jacs.5b06227

High Selectivity for Ethylene from Carbon Dioxide Reduction over Copper Nanocube Electrocatalysts
journal, February 2015

  • Roberts, F. Sloan; Kuhl, Kendra P.; Nilsson, Anders
  • Angewandte Chemie International Edition, Vol. 54, Issue 17
  • DOI: 10.1002/anie.201412214

Product Selectivity Affected by Cationic Species in Electrochemical Reduction of CO 2 and CO at a Cu Electrode
journal, January 1991

  • Murata, Akira; Hori, Yoshio
  • Bulletin of the Chemical Society of Japan, Vol. 64, Issue 1
  • DOI: 10.1246/bcsj.64.123

Site Selectivity for CO Adsorption and Stripping on Stepped and Kinked Platinum Surfaces in Alkaline Medium
journal, February 2013

  • Farias, Manuel J. S.; Herrero, Enrique; Feliu, Juan M.
  • The Journal of Physical Chemistry C, Vol. 117, Issue 6
  • DOI: 10.1021/jp311499s

The impact of the alkali cation on the mechanism of the electro-oxidation of ethylene glycol on Pt
journal, January 2011

  • Sitta, Elton; Batista, Bruno C.; Varela, Hamilton
  • Chemical Communications, Vol. 47, Issue 13
  • DOI: 10.1039/c0cc05353h

LI. A contribution to the theory of electrocapillarity
journal, April 1913

  • Chapman, David Leonard
  • The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 25, Issue 148
  • DOI: 10.1080/14786440408634187

Influence of the Nature of the Alkali Metal Cations on the Electrical Double-Layer Capacitance of Model Pt(111) and Au(111) Electrodes
journal, March 2018

  • Garlyyev, Batyr; Xue, Song; Watzele, Sebastian
  • The Journal of Physical Chemistry Letters, Vol. 9, Issue 8
  • DOI: 10.1021/acs.jpclett.8b00610

Charge Inversion and Ion−Ion Correlation Effects at the Mercury/Aqueous MgSO 4 Interface: Toward the Solution of a Long-Standing Issue
journal, January 2010

  • Wernersson, Erik; Kjellander, Roland; Lyklema, Johannes
  • The Journal of Physical Chemistry C, Vol. 114, Issue 4
  • DOI: 10.1021/jp906759e

Ionic Liquid-Mediated Selective Conversion of CO2 to CO at Low Overpotentials
journal, September 2011

  • Rosen, B. A.; Salehi-Khojin, A.; Thorson, M. R.
  • Science, Vol. 334, Issue 6056, p. 643-644
  • DOI: 10.1126/science.1209786

Probing promoting effects of alkali cations on the reduction of CO at the aqueous electrolyte/copper interface
journal, January 2017

  • Gunathunge, Charuni M.; Ovalle, Vincent J.; Waegele, Matthias M.
  • Physical Chemistry Chemical Physics, Vol. 19, Issue 44
  • DOI: 10.1039/C7CP06087D

Influence of cation adsorption on the kinetics of electrode processes
journal, January 1959

Non-monotonic Surface Charging Behavior of Platinum: A Paradigm Change
journal, June 2016

  • Huang, Jun; Malek, Ali; Zhang, Jianbo
  • The Journal of Physical Chemistry C, Vol. 120, Issue 25
  • DOI: 10.1021/acs.jpcc.6b03930

Effect of sodium cation on the electrochemical reduction of CO2 at a copper electrode in methanol
journal, August 2006

  • Kaneco, Satoshi; Iiba, Kenji; Katsumata, Hideyuki
  • Journal of Solid State Electrochemistry, Vol. 11, Issue 4, p. 490-495
  • DOI: 10.1007/s10008-006-0185-0

CO on Pt(111) puzzle: A possible solution
journal, August 2002

  • Grinberg, Ilya; Yourdshahyan, Yashar; Rappe, Andrew M.
  • The Journal of Chemical Physics, Vol. 117, Issue 5
  • DOI: 10.1063/1.1488596

Surface enhanced spectroscopic investigations of adsorption of cations on electrochemical interfaces
journal, January 2017

  • Dunwell, M.; Wang, Junhua; Yan, Y.
  • Physical Chemistry Chemical Physics, Vol. 19, Issue 2
  • DOI: 10.1039/C6CP07207K

Formation of Copper Catalysts for CO 2 Reduction with High Ethylene/Methane Product Ratio Investigated with In Situ X-ray Absorption Spectroscopy
journal, April 2016

  • Eilert, André; Roberts, F. Sloan; Friebel, Daniel
  • The Journal of Physical Chemistry Letters, Vol. 7, Issue 8
  • DOI: 10.1021/acs.jpclett.6b00367

Impacts of Perchloric Acid, Nafion, and Alkali Metal Ions on Oxygen Reduction Reaction Kinetics in Acidic and Alkaline Solutions
journal, November 2016

  • Zhu, Shangqian; Hu, Xiaomeng; Zhang, Lulu
  • The Journal of Physical Chemistry C, Vol. 120, Issue 48
  • DOI: 10.1021/acs.jpcc.6b09769

Effect of Cations on the Electrochemical Conversion of CO2 to CO
journal, November 2012

  • Thorson, M. R.; Siil, K. I.; Kenis, P. J. A.
  • Journal of the Electrochemical Society, Vol. 160, Issue 1, p. F69-F74
  • DOI: 10.1149/2.052301jes

Outer Helmholtz Plane of the Electrical Double Layer Formed at the Solid Electrode-Liquid Interface
journal, February 2011

  • Nakamura, Masashi; Sato, Narumasa; Hoshi, Nagahiro
  • ChemPhysChem, Vol. 12, Issue 8
  • DOI: 10.1002/cphc.201100011

Carbon Monoxide Adsorption Coverage Study on Platinum and Ruthenium Surfaces
journal, May 2014

  • Dimakis, Nicholas; Navarro, Nestor E.; Mion, Thomas
  • The Journal of Physical Chemistry C, Vol. 118, Issue 22
  • DOI: 10.1021/jp501709q

Influence of beryllium cations on the electrochemical oxidation of methanol on stepped platinum surfaces in alkaline solution
journal, January 2015

Impurity Ion Complexation Enhances Carbon Dioxide Reduction Catalysis
journal, June 2015

Revised self-consistent continuum solvation in electronic-structure calculations
journal, February 2012

  • Andreussi, Oliviero; Dabo, Ismaila; Marzari, Nicola
  • The Journal of Chemical Physics, Vol. 136, Issue 6
  • DOI: 10.1063/1.3676407

Determination of the Potential of Zero Charge of Au(111) Modified with Thiol Monolayers
journal, September 2007

  • Ramírez, Pablo; Andreu, Rafael; Cuesta, Ángel
  • Analytical Chemistry, Vol. 79, Issue 17
  • DOI: 10.1021/ac071341z

Electrochemical Capacitance of CO-Terminated Pt(111) Dominated by the CO–Solvent Gap
journal, October 2017

  • Sundararaman, Ravishankar; Figueiredo, Marta C.; Koper, Marc T. M.
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 21
  • DOI: 10.1021/acs.jpclett.7b02383

Potential-Dependent Adsorption of CO and Its Low-Overpotential Reduction to CH 3 CH 2 OH on Cu(511) Surface Reconstructed from Cu(pc): Operando Studies by Seriatim STM-EQCN-DEMS
journal, January 2018

  • Tsang, Chu F.; Javier, Alnald C.; Kim, Youn-Geun
  • Journal of The Electrochemical Society, Vol. 165, Issue 15
  • DOI: 10.1149/2.0451815jes

The effect of the alkali metal cation on the electrocatalytic oxidation of formate on platinum
journal, January 2014

  • Previdello, Bruno A. F.; Machado, Eduardo G.; Varela, Hamilton
  • RSC Adv., Vol. 4, Issue 29
  • DOI: 10.1039/C4RA00769G

Probing the Reaction Mechanism of CO 2 Electroreduction over Ag Films via Operando Infrared Spectroscopy
journal, December 2016

CO Adsorption Site Preference on Platinum: Charge Is the Essence
journal, March 2018

Solvent-enabled control of reactivity for liquid-phase reactions of biomass-derived compounds
journal, February 2018

  • Mellmer, Max A.; Sanpitakseree, Chotitath; Demir, Benginur
  • Nature Catalysis, Vol. 1, Issue 3
  • DOI: 10.1038/s41929-018-0027-3

The effective surface pH during reactions at the solid–liquid interface
journal, June 2011

  • Katsounaros, Ioannis; Meier, Josef C.; Klemm, Sebastian O.
  • Electrochemistry Communications, Vol. 13, Issue 6
  • DOI: 10.1016/j.elecom.2011.03.032

Hydrolysis of Electrolyte Cations Enhances the Electrochemical Reduction of CO 2 over Ag and Cu
journal, September 2016

  • Singh, Meenesh R.; Kwon, Youngkook; Lum, Yanwei
  • Journal of the American Chemical Society, Vol. 138, Issue 39
  • DOI: 10.1021/jacs.6b07612

Nanostructured Metallic Electrocatalysts for Carbon Dioxide Reduction
journal, October 2014

CO-CO coupling on Cu facets: Coverage, strain and field effects
journal, December 2016

Absolute Potential of the Standard Hydrogen Electrode and the Problem of Interconversion of Potentials in Different Solvents
journal, June 2010

  • Isse, Abdirisak A.; Gennaro, Armando
  • The Journal of Physical Chemistry B, Vol. 114, Issue 23
  • DOI: 10.1021/jp100402x

The role of non-covalent interactions in electrocatalytic fuel-cell reactions on platinum
journal, August 2009

  • Strmcnik, D.; Kodama, K.; van der Vliet, D.
  • Nature Chemistry, Vol. 1, Issue 6
  • DOI: 10.1038/nchem.330

Grand canonical simulations of electrochemical interfaces in implicit solvation models
journal, January 2019

  • Hörmann, Nicolas G.; Andreussi, Oliviero; Marzari, Nicola
  • The Journal of Chemical Physics, Vol. 150, Issue 4
  • DOI: 10.1063/1.5054580

Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutions
journal, April 2017

  • Ringe, Stefan; Oberhofer, Harald; Reuter, Karsten
  • The Journal of Chemical Physics, Vol. 146, Issue 13
  • DOI: 10.1063/1.4978850

The electrochemical double layer on sp metal single crystals
journal, March 1983

  • Hamelin, A.; Vitanov, T.; Sevastyanov, E.
  • Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 145, Issue 2
  • DOI: 10.1016/S0022-0728(83)80085-0

A UPS, XPS and work function study of emersed silver, platinum and gold electrodes
journal, December 1986

  • Kötz, E. R.; Neff, H.; Müller, K.
  • Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 215, Issue 1-2
  • DOI: 10.1016/0022-0728(86)87026-7

A selective and efficient electrocatalyst for carbon dioxide reduction
journal, January 2014

  • Lu, Qi; Rosen, Jonathan; Zhou, Yang
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms4242

Structural Dynamics of the Electrical Double Layer during Capacitive Charging/Discharging Processes
journal, September 2014

  • Nakamura, Masashi; Kaminaga, Hiroto; Endo, Osamu
  • The Journal of Physical Chemistry C, Vol. 118, Issue 38
  • DOI: 10.1021/jp506979p

Continuum models of the electrochemical diffuse layer in electronic-structure calculations
journal, January 2019

  • Nattino, Francesco; Truscott, Matthew; Marzari, Nicola
  • The Journal of Chemical Physics, Vol. 150, Issue 4
  • DOI: 10.1063/1.5054588

Effect of Non-Specifically Adsorbed Ions on the Surface Oxidation of Pt(111)
journal, June 2013

  • Nakamura, Masashi; Nakajima, Yo; Hoshi, Nagahiro
  • ChemPhysChem, Vol. 14, Issue 11
  • DOI: 10.1002/cphc.201300404

Ion effects in water oxidation to hydrogen peroxide
journal, January 2014

  • McDonnell-Worth, Ciaran; MacFarlane, Douglas. R.
  • RSC Advances, Vol. 4, Issue 58
  • DOI: 10.1039/C4RA05296J

Adsorption of large ions from an electrolyte solution: a modified Poisson–Boltzmann equation
journal, November 2000

Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K
journal, February 2017

  • Cheng, Tao; Xiao, Hai; Goddard, William A.
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 8
  • DOI: 10.1073/pnas.1612106114

Double layer on silver single crystal electrodes in contact with electrolytes having anions which are slightly specifically adsorbed
journal, September 1989

  • Valette, Georges
  • Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 269, Issue 1
  • DOI: 10.1016/0022-0728(89)80112-3

Break-Up of Stepped Platinum Catalyst Surfaces by High CO Coverage
journal, February 2010

Effects of Anion Identity and Concentration on Electrochemical Reduction of CO 2
journal, February 2018

Phenomenological Theory of Ion Solvation. Effective Radii of Hydrated Ions
journal, September 1959

  • Nightingale, E. R.
  • The Journal of Physical Chemistry, Vol. 63, Issue 9, p. 1381-1387
  • DOI: 10.1021/j150579a011

Solvent-mediated charge separation drives alternative hydrogenation path of furanics in liquid water
journal, April 2019

On the origin of the double layer capacitance maximum of Pt(111) single crystal electrodes
journal, April 2003

Bicarbonate Is Not a General Acid in Au-Catalyzed CO 2 Electroreduction
journal, November 2017

  • Wuttig, Anna; Yoon, Youngmin; Ryu, Jaeyune
  • Journal of the American Chemical Society, Vol. 139, Issue 47
  • DOI: 10.1021/jacs.7b08345

Mechanistic insights into electrochemical reduction of CO 2 over Ag using density functional theory and transport models
journal, October 2017

  • Singh, Meenesh R.; Goodpaster, Jason D.; Weber, Adam Z.
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 42
  • DOI: 10.1073/pnas.1713164114

Acceleration of the reduction of carbon dioxide in the presence of multivalent cations
journal, September 2012

First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach
journal, March 2006

Standards and Protocols for Data Acquisition and Reporting for Studies of the Electrochemical Reduction of Carbon Dioxide
journal, May 2018

Ab initio molecular dynamics study of the Helmholtz layer formed on solid–liquid interfaces and its capacitance
journal, January 2013

Influence of Atomic Surface Structure on the Activity of Ag for the Electrochemical Reduction of CO 2 to CO
journal, March 2019

Interfacial water reorganization as a pH-dependent descriptor of the hydrogen evolution rate on platinum electrodes
journal, March 2017

  • Ledezma-Yanez, Isis; Wallace, W. David Z.; Sebastián-Pascual, Paula
  • Nature Energy, Vol. 2, Issue 4
  • DOI: 10.1038/nenergy.2017.31

Improved CO2 reduction activity towards C2+ alcohols on a tandem gold on copper electrocatalyst
journal, October 2018

  • Morales-Guio, Carlos G.; Cave, Etosha R.; Nitopi, Stephanie A.
  • Nature Catalysis, Vol. 1, Issue 10
  • DOI: 10.1038/s41929-018-0139-9

Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models
journal, November 2018

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
  • DOI: 10.1073/pnas.1802256115

An abinitio study of electrochemical vs. electromechanical properties: the case of CO adsorbed on a Pt(111) surface
journal, January 2011

  • Mamatkulov, M.; Filhol, J. -S.
  • Physical Chemistry Chemical Physics, Vol. 13, Issue 17
  • DOI: 10.1039/c0cp01444c

The Ionic Work Function and its Role in Estimating Absolute Electrode Potentials
journal, September 2008

Absence of diffuse double layer effect on the vibrational properties and oxidation of chemisorbed carbon monoxide on a Pt(111) electrode
journal, August 2018

Interplay between the hydrophilicity of metal electrodes and their interfacial capacitance
journal, August 2016

The Central Role of Bicarbonate in the Electrochemical Reduction of Carbon Dioxide on Gold
journal, March 2017

  • Dunwell, Marco; Lu, Qi; Heyes, Jeffrey M.
  • Journal of the American Chemical Society, Vol. 139, Issue 10
  • DOI: 10.1021/jacs.6b13287

Inhibited proton transfer enhances Au-catalyzed CO 2 -to-fuels selectivity
journal, July 2016

  • Wuttig, Anna; Yaguchi, Momo; Motobayashi, Kenta
  • Proceedings of the National Academy of Sciences, Vol. 113, Issue 32
  • DOI: 10.1073/pnas.1602984113

Electrochemical Reduction of CO 2 Using Copper Single-Crystal Surfaces: Effects of CO* Coverage on the Selective Formation of Ethylene
journal, February 2017

Structure- and Potential-Dependent Cation Effects on CO Reduction at Copper Single-Crystal Electrodes
journal, November 2017

  • Pérez-Gallent, Elena; Marcandalli, Giulia; Figueiredo, Marta Costa
  • Journal of the American Chemical Society, Vol. 139, Issue 45
  • DOI: 10.1021/jacs.7b10142

Electric Field Effects in Electrochemical CO 2 Reduction
journal, September 2016

The Influence of the Cation on the Oxygen Reduction and Evolution Activities of Oxide Surfaces in Alkaline Electrolyte
journal, December 2012

The influence of cation size upon the infrared spectrum of carbon monoxide adsorbed on platinum electrodes
journal, November 1991

  • Anderson, Mark R.; Huang, Jimin
  • Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, Vol. 318, Issue 1-2
  • DOI: 10.1016/0022-0728(91)85315-G

Kinetic studies of the electrolytic reduction of carbon dioxide on the mercury electrode
journal, December 1969

Electrochemical Barriers Made Simple
journal, June 2015

Enhanced electrocatalytic CO2 reduction via field-induced reagent concentration
journal, August 2016

Effects of Li + , K + , and Ba 2+ Cations on the ORR at Model and High Surface Area Pt and Au Surfaces in Alkaline Solutions
journal, October 2011

  • Strmcnik, D.; van der Vliet, D. F.; Chang, K. -C.
  • The Journal of Physical Chemistry Letters, Vol. 2, Issue 21
  • DOI: 10.1021/jz201215u

Suppression of Hydrogen Evolution by Oxygen Reduction in Nanoporous Electrocatalysts
journal, March 2017

  • Benn, Ellen E.; Gaskey, Bernard; Erlebacher, Jonah D.
  • Journal of the American Chemical Society, Vol. 139, Issue 10
  • DOI: 10.1021/jacs.6b10855

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journal, October 2005

  • Gupta, N.; Gattrell, M.; MacDougall, B.
  • Journal of Applied Electrochemistry, Vol. 36, Issue 2
  • DOI: 10.1007/s10800-005-9058-y

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  • Burdyny, Thomas; Smith, Wilson A.
  • Energy & Environmental Science, Vol. 12, Issue 5
  • DOI: 10.1039/C8EE03134G

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  • Ringe, Stefan; Oberhofer, Harald; Hille, Christoph
  • Journal of Chemical Theory and Computation, Vol. 12, Issue 8
  • DOI: 10.1021/acs.jctc.6b00435

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journal, January 2016

  • Xiao, Hai; Cheng, Tao; Goddard, William A.
  • Journal of the American Chemical Society, Vol. 138, Issue 2
  • DOI: 10.1021/jacs.5b11390

Insight into the Microenvironments of the Metal–Ionic Liquid Interface during Electrochemical CO 2 Reduction
journal, January 2018

Promotion of the Oxidation of Carbon Monoxide at Stepped Platinum Single-Crystal Electrodes in Alkaline Media by Lithium and Beryllium Cations
journal, November 2010

  • Stoffelsma, Chantal; Rodriguez, Paramaconi; Garcia, Gonzalo
  • Journal of the American Chemical Society, Vol. 132, Issue 45
  • DOI: 10.1021/ja106389k

pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper
journal, January 2019

High Selectivity for Ethylene from Carbon Dioxide Reduction over Copper Nanocube Electrocatalysts
journal, February 2015

  • Roberts, F. Sloan; Kuhl, Kendra P.; Nilsson, Anders
  • Angewandte Chemie, Vol. 127, Issue 17
  • DOI: 10.1002/ange.201412214

Structure Sensitivity in the Electrocatalytic Reduction of CO 2 with Gold Catalysts
journal, February 2019

  • Mezzavilla, Stefano; Horch, Sebastian; Stephens, Ifan E. L.
  • Angewandte Chemie, Vol. 131, Issue 12
  • DOI: 10.1002/ange.201811422

Electrochemical Capacitance of CO-terminated Pt(111) is Dominated by CO-Solvent Gap
text, January 2017

CO on Pt(111) puzzle; A possible solution
text, January 2001

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    Works referencing / citing this record:

    Hydroxide Is Not a Promoter of C 2+ Product Formation in the Electrochemical Reduction of CO on Copper
    journal, March 2020

    Hydroxide Is Not a Promoter of C 2+ Product Formation in the Electrochemical Reduction of CO on Copper
    journal, January 2020

    • Li, Jing; Wu, Donghuan; Malkani, Arnav S.
    • Angewandte Chemie International Edition, Vol. 59, Issue 11
    • DOI: 10.1002/anie.201912412

    Catalyst–Electrolyte Interactions in Aqueous Reline Solutions for Highly Selective Electrochemical CO 2 Reduction
    journal, November 2019

    Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold
    journal, January 2020

    Advances and challenges in electrochemical CO 2 reduction processes: an engineering and design perspective looking beyond new catalyst materials
    journal, January 2020

    • Garg, Sahil; Li, Mengran; Weber, Adam Z.
    • Journal of Materials Chemistry A, Vol. 8, Issue 4
    • DOI: 10.1039/c9ta13298h

    How cations affect the electric double layer and the rates and selectivity of electrocatalytic processes
    journal, October 2019

    • Waegele, Matthias M.; Gunathunge, Charuni M.; Li, Jingyi
    • The Journal of Chemical Physics, Vol. 151, Issue 16
    • DOI: 10.1063/1.5124878

    Parameter-free coordination numbers for solutions and interfaces
    journal, January 2020

    • Staub, Ruben; Steinmann, Stephan N.
    • The Journal of Chemical Physics, Vol. 152, Issue 2
    • DOI: 10.1063/1.5135696

    Cover Picture: Hydroxide Is Not a Promoter of C 2+ Product Formation in the Electrochemical Reduction of CO on Copper (Angew. Chem. Int. Ed. 11/2020)
    journal, January 2020

    • Li, Jing; Wu, Donghuan; Malkani, Arnav S.
    • Angewandte Chemie International Edition, Vol. 59, Issue 11
    • DOI: 10.1002/anie.202000873

    Titelbild: Hydroxide Is Not a Promoter of C 2+ Product Formation in the Electrochemical Reduction of CO on Copper (Angew. Chem. 11/2020)
    journal, March 2020

    Catalyst–Electrolyte Interactions in Aqueous Reline Solutions for Highly Selective Electrochemical CO 2 Reduction
    journal, December 2019

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