pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper
- Authors:
-
- Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Stanford Univ., Stanford, CA (United States); Westlake Univ., Hangzhou (China)
- Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States); Guangzhou Univ., Guangzhou (China)
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States); Technical Univ. of Denmark, Lyngby (Denmark)
- SLAC National Accelerator Lab., Menlo Park, CA (United States); Technical Univ. of Denmark, Lyngby (Denmark)
- Publication Date:
- Research Org.:
- SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1487380
- Alternate Identifier(s):
- OSTI ID: 1529394
- Grant/Contract Number:
- AC02-76SF00515
- 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:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Liu, Xianyan, Schlexer, Philomena, Xiao, Jianping, Ji, Yongfei, Wang, Lei, Sandberg, Robert B., Tang, Michael, Brown, Kris, Peng, Hongjie, Ringe, Stefan, Hahn, Christopher, Jaramillo, Thomas F., Norskov, Jens K., and Chan, Karen. pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper. United States: N. p., 2019.
Web. doi:10.1038/s41467-018-07970-9.
Liu, Xianyan, Schlexer, Philomena, Xiao, Jianping, Ji, Yongfei, Wang, Lei, Sandberg, Robert B., Tang, Michael, Brown, Kris, Peng, Hongjie, Ringe, Stefan, Hahn, Christopher, Jaramillo, Thomas F., Norskov, Jens K., & Chan, Karen. pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper. United States. https://doi.org/10.1038/s41467-018-07970-9
Liu, Xianyan, Schlexer, Philomena, Xiao, Jianping, Ji, Yongfei, Wang, Lei, Sandberg, Robert B., Tang, Michael, Brown, Kris, Peng, Hongjie, Ringe, Stefan, Hahn, Christopher, Jaramillo, Thomas F., Norskov, Jens K., and Chan, Karen. Thu .
"pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper". United States. https://doi.org/10.1038/s41467-018-07970-9. https://www.osti.gov/servlets/purl/1487380.
@article{osti_1487380,
title = {pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper},
author = {Liu, Xianyan and Schlexer, Philomena and Xiao, Jianping and Ji, Yongfei and Wang, Lei and Sandberg, Robert B. and Tang, Michael and Brown, Kris and Peng, Hongjie and Ringe, Stefan and Hahn, Christopher and Jaramillo, Thomas F. and Norskov, Jens K. and Chan, Karen},
abstractNote = {},
doi = {10.1038/s41467-018-07970-9},
journal = {Nature Communications},
number = 1,
volume = 10,
place = {United States},
year = {Thu Jan 03 00:00:00 EST 2019},
month = {Thu Jan 03 00:00:00 EST 2019}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 362 works
Citation information provided by
Web of Science
Web of Science
Figures / Tables:
Figure 1: Reaction schemes of major pathways considered for CO reduction towards C1 and C2+ products.The green path denotes C2 production via OC-CHO coupling; the blue and red path represents C2 production via protonation of OCCO to form OCCHO and OCCOH, respectively; the yellow path represents C2 production via OC-CHOHmore »
All figures and tables
(5 total)
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Theoretical Considerations on the Electroreduction of CO to C 2 Species on Cu(100) Electrodes
journal, June 2013
- Calle-Vallejo, Federico; Koper, Marc T. M.
- Angewandte Chemie International Edition, Vol. 52, Issue 28
Facet Dependence of CO 2 Reduction Paths on Cu Electrodes
journal, December 2015
- Luo, Wenjia; Nie, Xiaowa; Janik, Michael J.
- ACS Catalysis, Vol. 6, Issue 1
Electrochemical Carbon Monoxide Reduction on Polycrystalline Copper: Effects of Potential, Pressure, and pH on Selectivity toward Multicarbon and Oxygenated Products
journal, July 2018
- Wang, Lei; Nitopi, Stephanie A.; Bertheussen, Erlend
- ACS Catalysis, Vol. 8, Issue 8
The absolute electrode potential: an explanatory note (Recommendations 1986)
journal, January 1986
- Trasatti, S.
- Pure and Applied Chemistry, Vol. 58, Issue 7
Electrocatalytic process of CO selectivity in electrochemical reduction of CO2 at metal electrodes in aqueous media
journal, August 1994
- Hori, Yoshio; Wakebe, Hidetoshi; Tsukamoto, Toshio
- Electrochimica Acta, Vol. 39, Issue 11-12, p. 1833-1839
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
- Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
- Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
Amino acid modified copper electrodes for the enhanced selective electroreduction of carbon dioxide towards hydrocarbons
journal, January 2016
- Xie, Ming Shi; Xia, Bao Yu; Li, Yawei
- Energy & Environmental Science, Vol. 9, Issue 5
Recent Advances in Inorganic Heterogeneous Electrocatalysts for Reduction of Carbon Dioxide
journal, March 2016
- Zhu, Dong Dong; Liu, Jin Long; Qiao, Shi Zhang
- Advanced Materials, Vol. 28, Issue 18
Electrocatalytic Conversion of Carbon Dioxide to Methane and Methanol on Transition Metal Surfaces
journal, August 2014
- Kuhl, Kendra P.; Hatsukade, Toru; Cave, Etosha R.
- Journal of the American Chemical Society, Vol. 136, Issue 40
Standard hydrogen electrode and potential of zero charge in density functional calculations
journal, September 2011
- Tripkovic, Vladimir; Björketun, Mårten E.; Skúlason, Egill
- Physical Review B, Vol. 84, Issue 11
Operational constraints and strategies for systems to effect the sustainable, solar-driven reduction of atmospheric CO 2
journal, January 2015
- Chen, Yikai; Lewis, Nathan S.; Xiang, Chengxiang
- Energy & Environmental Science, Vol. 8, Issue 12
Modeling the electrified solid–liquid interface
journal, November 2008
- Rossmeisl, Jan; Skúlason, Egill; Björketun, Mårten E.
- Chemical Physics Letters, Vol. 466, Issue 1-3
In Situ Spectroscopic Study of CO 2 Electroreduction at Copper Electrodes in Acetonitrile
journal, March 2016
- Figueiredo, Marta C.; Ledezma-Yanez, Isis; Koper, Marc T. M.
- ACS Catalysis, Vol. 6, Issue 4
Structure-sensitive electroreduction of acetaldehyde to ethanol on copper and its mechanistic implications for CO and CO 2 reduction
journal, March 2016
- Ledezma-Yanez, Isis; Gallent, Elena Pérez; Koper, Marc T. M.
- Catalysis Today, Vol. 262
Potential Dependence of Electrochemical Barriers from ab Initio Calculations
journal, April 2016
- Chan, Karen; Nørskov, Jens K.
- The Journal of Physical Chemistry Letters, Vol. 7, Issue 9
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
Solvation Effects for Oxygen Evolution Reaction Catalysis on IrO 2 (110)
journal, May 2017
- Gauthier, Joseph A.; Dickens, Colin F.; Chen, Leanne D.
- The Journal of Physical Chemistry C, Vol. 121, Issue 21
On the effect of coverage-dependent adsorbate–adsorbate interactions for CO methanation on transition metal surfaces
journal, November 2013
- Lausche, Adam C.; Medford, Andrew J.; Khan, Tuhin Suvra
- Journal of Catalysis, Vol. 307
Structure of the First Solvation Shell of the Hydroxide Anion. A Model Study Using OH - (H 2 O) n ( n = 4, 5, 6, 7, 11, 17) Clusters
journal, October 1997
- Novoa, Juan J.; Mota, Fernando; Perez del Valle, Carlos
- The Journal of Physical Chemistry A, Vol. 101, Issue 42
Reaction mechanisms of CO2 electrochemical reduction on Cu(111) determined with density functional theory
journal, April 2014
- Nie, Xiaowa; Luo, Wenjia; Janik, Michael J.
- Journal of Catalysis, Vol. 312
A Gross-Margin Model for Defining Technoeconomic Benchmarks in the Electroreduction of CO 2
journal, June 2016
- Verma, Sumit; Kim, Byoungsu; Jhong, Huei-Ru “Molly”
- ChemSusChem, Vol. 9, Issue 15
Nickel–Gallium-Catalyzed Electrochemical Reduction of CO 2 to Highly Reduced Products at Low Overpotentials
journal, February 2016
- Torelli, Daniel A.; Francis, Sonja A.; Crompton, J. Chance
- ACS Catalysis, Vol. 6, Issue 3
CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends
journal, February 2015
- Medford, Andrew J.; Shi, Chuan; Hoffmann, Max J.
- Catalysis Letters, Vol. 145, Issue 3
Electrochemical reduction of carbon dioxide at various series of copper single crystal electrodes
journal, May 2003
- Hori, Y.; Takahashi, I.; Koga, O.
- Journal of Molecular Catalysis A: Chemical, Vol. 199, Issue 1-2, p. 39-47
Assessing the reliability of calculated catalytic ammonia synthesis rates
journal, July 2014
- Medford, A. J.; Wellendorff, J.; Vojvodic, A.
- Science, Vol. 345, Issue 6193
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
journal, June 2012
- Wellendorff, Jess; Lundgaard, Keld T.; Møgelhøj, Andreas
- Physical Review B, Vol. 85, Issue 23
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000
- Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
- The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
Acetaldehyde as an Intermediate in the Electroreduction of Carbon Monoxide to Ethanol on Oxide-Derived Copper
journal, December 2015
- Bertheussen, Erlend; Verdaguer-Casadevall, Arnau; Ravasio, Davide
- Angewandte Chemie International Edition, Vol. 55, Issue 4
Structure and vibrations of the vicinal copper (211) surface
journal, April 1998
- Wei, C. Y.; Lewis, Steven P.; Mele, E. J.
- Physical Review B, Vol. 57, Issue 16
Metal ion cycling of Cu foil for selective C–C coupling in electrochemical CO2 reduction
journal, January 2018
- Jiang, Kun; Sandberg, Robert B.; Akey, Austin J.
- Nature Catalysis, Vol. 1, Issue 2
An object-oriented scripting interface to a legacy electronic structure code
journal, January 2002
- Bahn, S. R.; Jacobsen, K. W.
- Computing in Science & Engineering, Vol. 4, Issue 3
Theoretical Investigations of Transition Metal Surface Energies under Lattice Strain and CO Environment
journal, May 2018
- Tang, Michael T.; Ulissi, Zachary W.; Chan, Karen
- The Journal of Physical Chemistry C, Vol. 122, Issue 26
Theoretical Insights into a CO Dimerization Mechanism in CO 2 Electroreduction
journal, May 2015
- Montoya, Joseph H.; Shi, Chuan; Chan, Karen
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 11
Unifying Kinetic and Thermodynamic Analysis of 2 e – and 4 e – Reduction of Oxygen on Metal Surfaces
journal, March 2014
- Hansen, Heine A.; Viswanathan, Venkatasubramanian; Nørskov, Jens K.
- The Journal of Physical Chemistry C, Vol. 118, Issue 13
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
Spectroscopic Observation of Reversible Surface Reconstruction of Copper Electrodes under CO 2 Reduction
journal, May 2017
- Gunathunge, Charuni M.; Li, Xiang; Li, Jingyi
- The Journal of Physical Chemistry C, Vol. 121, Issue 22
First-principles extrapolation method for accurate CO adsorption energies on metal surfaces
journal, April 2004
- Mason, Sara E.; Grinberg, Ilya; Rappe, Andrew M.
- Physical Review B, Vol. 69, Issue 16
Stabilization of ultrathin (hydroxy)oxide films on transition metal substrates for electrochemical energy conversion
journal, May 2017
- Zeng, Zhenhua; Chang, Kee-Chul; Kubal, Joseph
- Nature Energy, Vol. 2, Issue 6
Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO 2 : New Theoretical Insights from an Improved Electrochemical Model
journal, April 2016
- Goodpaster, Jason D.; Bell, Alexis T.; Head-Gordon, Martin
- The Journal of Physical Chemistry Letters, Vol. 7, Issue 8
Avoiding pitfalls in the modeling of electrochemical interfaces
journal, January 2013
- Björketun, Mårten E.; Zeng, ZhenHua; Ahmed, Rizwan
- Chemical Physics Letters, Vol. 555
Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic
journal, February 2013
- Limmer, David T.; Willard, Adam P.; Madden, Paul
- Proceedings of the National Academy of Sciences, Vol. 110, Issue 11
Mechanism of CO 2 Reduction at Copper Surfaces: Pathways to C 2 Products
journal, January 2018
- Garza, Alejandro J.; Bell, Alexis T.; Head-Gordon, Martin
- ACS Catalysis, Vol. 8, Issue 2
Fundamental Concepts in Heterogeneous Catalysis
book, January 2014
- Nørskov, Jens K.; Studt, Felix; Abild-Pedersen, Frank
- John Wiley & Sons, Inc.
Two Pathways for the Formation of Ethylene in CO Reduction on Single-Crystal Copper Electrodes
journal, June 2012
- Schouten, Klaas Jan P.; Qin, Zisheng; Pérez Gallent, Elena
- Journal of the American Chemical Society, Vol. 134, Issue 24
Electrochemical Reduction of CO at a Copper Electrode
journal, September 1997
- Hori, Yoshio; Takahashi, Ryutaro; Yoshinami, Yuzuru
- The Journal of Physical Chemistry B, Vol. 101, Issue 36
Selectivity of CO 2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps
journal, January 2013
- Nie, Xiaowa; Esopi, Monica R.; Janik, Michael J.
- Angewandte Chemie International Edition, Vol. 52, Issue 9
Identification of the "Active Sites" of a Surface-Catalyzed Reaction
journal, September 1996
- Zambelli, T.; Wintterlin, J.; Trost, J.
- Science, Vol. 273, Issue 5282
General Techno-Economic Analysis of CO 2 Electrolysis Systems
journal, February 2018
- Jouny, Matthew; Luc, Wesley; Jiao, Feng
- Industrial & Engineering Chemistry Research, Vol. 57, Issue 6
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
Improving the hydrogen oxidation reaction rate by promotion of hydroxyl adsorption
journal, February 2013
- Strmcnik, Dusan; Uchimura, Masanobu; Wang, Chao
- Nature Chemistry, Vol. 5, Issue 4
Tracking a Common Surface-Bound Intermediate during CO 2 -to-Fuels Catalysis
journal, August 2016
- Wuttig, Anna; Liu, Can; Peng, Qiling
- ACS Central Science, Vol. 2, Issue 8
CO adsorption energies on metals with correction for high coordination adsorption sites – A density functional study
journal, April 2007
- Abild-Pedersen, F.; Andersson, M. P.
- Surface Science, Vol. 601, Issue 7
A comparative technoeconomic analysis of renewable hydrogen production using solar energy
journal, January 2016
- Shaner, Matthew R.; Atwater, Harry A.; Lewis, Nathan S.
- Energy & Environmental Science, Vol. 9, Issue 7
Electrochemical Barriers Made Simple
journal, June 2015
- Chan, Karen; Nørskov, Jens K.
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 14
CO 2 electroreduction to ethylene via hydroxide-mediated copper catalysis at an abrupt interface
journal, May 2018
- Dinh, Cao-Thang; Burdyny, Thomas; Kibria, Md Golam
- Science, Vol. 360, Issue 6390
Controlling Catalytic Selectivities during CO 2 Electroreduction on Thin Cu Metal Overlayers
journal, July 2013
- Reske, Rulle; Duca, Matteo; Oezaslan, Mehtap
- The Journal of Physical Chemistry Letters, Vol. 4, Issue 15
Mechanistic Insights into the Reduction of CO 2 on Tin Electrodes using in Situ ATR-IR Spectroscopy
journal, March 2015
- Baruch, Maor F.; Pander, James E.; White, James L.
- ACS Catalysis, Vol. 5, Issue 5
Competition between Hydrogen Evolution and Carbon Dioxide Reduction on Copper Electrodes in Mildly Acidic Media
journal, May 2017
- Ooka, Hideshi; Figueiredo, Marta C.; Koper, Marc T. M.
- Langmuir, Vol. 33, Issue 37
CO and CO2 Hydrogenation to Methanol Calculated Using the BEEF-vdW Functional
journal, December 2012
- Studt, Felix; Abild-Pedersen, Frank; Varley, Joel B.
- Catalysis Letters, Vol. 143, Issue 1
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
journal, November 2004
- Nørskov, J. K.; Rossmeisl, J.; Logadottir, A.
- The Journal of Physical Chemistry B, Vol. 108, Issue 46
Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111)
journal, January 2016
- Xiao, Hai; Cheng, Tao; Goddard, William A.
- Journal of the American Chemical Society, Vol. 138, Issue 2
Barriers of Electrochemical CO 2 Reduction on Transition Metals
journal, July 2016
- Shi, Chuan; Chan, Karen; Yoo, Jong Suk
- Organic Process Research & Development, Vol. 20, Issue 8
New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces
journal, January 2012
- Kuhl, Kendra P.; Cave, Etosha R.; Abram, David N.
- Energy & Environmental Science, Vol. 5, Issue 5
Electroreduction of Carbon Monoxide Over a Copper Nanocube Catalyst: Surface Structure and pH Dependence on Selectivity
journal, February 2016
- Roberts, F. Sloan; Kuhl, Kendra P.; Nilsson, Anders
- ChemCatChem, Vol. 8, Issue 6
Intrinsic Selectivity and Structure Sensitivity of Rhodium Catalysts for C 2+ Oxygenate Production
journal, March 2016
- Yang, Nuoya; Medford, Andrew J.; Liu, Xinyan
- Journal of the American Chemical Society, Vol. 138, Issue 11
Combining theory and experiment in electrocatalysis: Insights into materials design
journal, January 2017
- Seh, Zhi Wei; Kibsgaard, Jakob; Dickens, Colin F.
- Science, Vol. 355, Issue 6321
A new mechanism for the selectivity to C1 and C2 species in the electrochemical reduction of carbon dioxide on copper electrodes
journal, January 2011
- Schouten, K. J. P.; Kwon, Y.; van der Ham, C. J. M.
- Chemical Science, Vol. 2, Issue 10
Role of Steps in Activation on Ru(0001)
journal, August 1999
- Dahl, S.; Logadottir, A.; Egeberg, R. C.
- Physical Review Letters, Vol. 83, Issue 9
Spectroscopic Observation of a Hydrogenated CO Dimer Intermediate During CO Reduction on Cu(100) Electrodes
journal, February 2017
- Pérez-Gallent, Elena; Figueiredo, Marta C.; Calle-Vallejo, Federico
- Angewandte Chemie International Edition, Vol. 56, Issue 13
Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO 2 Fixation
journal, June 2013
- Appel, Aaron M.; Bercaw, John E.; Bocarsly, Andrew B.
- Chemical Reviews, Vol. 113, Issue 8
Theoretical insight on reactivity trends in CO 2 electroreduction across transition metals
journal, January 2016
- Akhade, Sneha A.; Luo, Wenjia; Nie, Xiaowa
- Catalysis Science & Technology, Vol. 6, Issue 4
Free-Energy Barriers and Reaction Mechanisms for the Electrochemical Reduction of CO on the Cu(100) Surface, Including Multiple Layers of Explicit Solvent at pH 0
journal, November 2015
- Cheng, Tao; Xiao, Hai; Goddard, William A.
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 23
Understanding trends in electrochemical carbon dioxide reduction rates
journal, May 2017
- Liu, Xinyan; Xiao, Jianping; Peng, Hongjie
- Nature Communications, Vol. 8, Issue 1
Acetaldehyde as an Intermediate in the Electroreduction of Carbon Monoxide to Ethanol on Oxide-Derived Copper
journal, December 2015
- Bertheussen, Erlend; Verdaguer-Casadevall, Arnau; Ravasio, Davide
- Angewandte Chemie, Vol. 128, Issue 4
Spectroscopic Observation of a Hydrogenated CO Dimer Intermediate During CO Reduction on Cu(100) Electrodes
journal, February 2017
- Pérez-Gallent, Elena; Figueiredo, Marta C.; Calle-Vallejo, Federico
- Angewandte Chemie, Vol. 129, Issue 13
Theoretical Considerations on the Electroreduction of CO to C 2 Species on Cu(100) Electrodes
journal, June 2013
- Calle-Vallejo, Federico; Koper, Marc T. M.
- Angewandte Chemie, Vol. 125, Issue 28
Selectivity of CO 2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps
journal, January 2013
- Nie, Xiaowa; Esopi, Monica R.; Janik, Michael J.
- Angewandte Chemie, Vol. 125, Issue 9
Acetaldehyde As an Intermediate in the Electroreduction of Carbon Monoxide to Ethanol on Oxide-Derived Copper
journal, April 2016
- Bertheussen, Erlend; Verdaguer-Casdevall, Arnau; Ravasio, Davide
- ECS Meeting Abstracts, Vol. MA2016-01, Issue 38
First-principles extrapolation method for accurate CO adsorption energies on metal surfaces
text, January 2003
- Mason, Sara E.; Grinberg, Ilya; Rappe, Andrew M.
- arXiv
Structure and Vibrations of the Vicinal Copper (211) Surface
text, January 1997
- Wei, C. Y.; Lewis, Steven P.; Mele, E. J.
- arXiv
Recent Advances in Inorganic Heterogeneous Electrocatalysts for Reduction of Carbon Dioxide
journal, March 2016
- Zhu, Dong Dong; Liu, Jin Long; Qiao, Shi Zhang
- Advanced Materials, Vol. 28, Issue 18
Spectroscopic Observation of a Hydrogenated CO Dimer Intermediate During CO Reduction on Cu(100) Electrodes
journal, February 2017
- Pérez-Gallent, Elena; Figueiredo, Marta C.; Calle-Vallejo, Federico
- Angewandte Chemie, Vol. 129, Issue 13
Selectivity of CO 2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps
journal, January 2013
- Nie, Xiaowa; Esopi, Monica R.; Janik, Michael J.
- Angewandte Chemie International Edition, Vol. 52, Issue 9
A Gross-Margin Model for Defining Technoeconomic Benchmarks in the Electroreduction of CO 2
journal, June 2016
- Verma, Sumit; Kim, Byoungsu; Jhong, Huei-Ru “Molly”
- ChemSusChem, Vol. 9, Issue 15
CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends
journal, February 2015
- Medford, Andrew J.; Shi, Chuan; Hoffmann, Max J.
- Catalysis Letters, Vol. 145, Issue 3
Electrocatalytic process of CO selectivity in electrochemical reduction of CO2 at metal electrodes in aqueous media
journal, August 1994
- Hori, Yoshio; Wakebe, Hidetoshi; Tsukamoto, Toshio
- Electrochimica Acta, Vol. 39, Issue 11-12, p. 1833-1839
Modeling the electrified solid–liquid interface
journal, November 2008
- Rossmeisl, Jan; Skúlason, Egill; Björketun, Mårten E.
- Chemical Physics Letters, Vol. 466, Issue 1-3
Avoiding pitfalls in the modeling of electrochemical interfaces
journal, January 2013
- Björketun, Mårten E.; Zeng, ZhenHua; Ahmed, Rizwan
- Chemical Physics Letters, Vol. 555
On the effect of coverage-dependent adsorbate–adsorbate interactions for CO methanation on transition metal surfaces
journal, November 2013
- Lausche, Adam C.; Medford, Andrew J.; Khan, Tuhin Suvra
- Journal of Catalysis, Vol. 307
Reaction mechanisms of CO2 electrochemical reduction on Cu(111) determined with density functional theory
journal, April 2014
- Nie, Xiaowa; Luo, Wenjia; Janik, Michael J.
- Journal of Catalysis, Vol. 312
CO adsorption energies on metals with correction for high coordination adsorption sites – A density functional study
journal, April 2007
- Abild-Pedersen, F.; Andersson, M. P.
- Surface Science, Vol. 601, Issue 7
Spectroscopic Observation of Reversible Surface Reconstruction of Copper Electrodes under CO 2 Reduction
journal, May 2017
- Gunathunge, Charuni M.; Li, Xiang; Li, Jingyi
- The Journal of Physical Chemistry C, Vol. 121, Issue 22
Theoretical Investigations of Transition Metal Surface Energies under Lattice Strain and CO Environment
journal, May 2018
- Tang, Michael T.; Ulissi, Zachary W.; Chan, Karen
- The Journal of Physical Chemistry C, Vol. 122, Issue 26
Theoretical Insights into a CO Dimerization Mechanism in CO 2 Electroreduction
journal, May 2015
- Montoya, Joseph H.; Shi, Chuan; Chan, Karen
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 11
Electrochemical Barriers Made Simple
journal, June 2015
- Chan, Karen; Nørskov, Jens K.
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 14
Free-Energy Barriers and Reaction Mechanisms for the Electrochemical Reduction of CO on the Cu(100) Surface, Including Multiple Layers of Explicit Solvent at pH 0
journal, November 2015
- Cheng, Tao; Xiao, Hai; Goddard, William A.
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 23
Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO 2 : New Theoretical Insights from an Improved Electrochemical Model
journal, April 2016
- Goodpaster, Jason D.; Bell, Alexis T.; Head-Gordon, Martin
- The Journal of Physical Chemistry Letters, Vol. 7, Issue 8
Potential Dependence of Electrochemical Barriers from ab Initio Calculations
journal, April 2016
- Chan, Karen; Nørskov, Jens K.
- The Journal of Physical Chemistry Letters, Vol. 7, Issue 9
Competition between Hydrogen Evolution and Carbon Dioxide Reduction on Copper Electrodes in Mildly Acidic Media
journal, May 2017
- Ooka, Hideshi; Figueiredo, Marta C.; Koper, Marc T. M.
- Langmuir, Vol. 33, Issue 37
Mechanistic Insights into the Reduction of CO 2 on Tin Electrodes using in Situ ATR-IR Spectroscopy
journal, March 2015
- Baruch, Maor F.; Pander, James E.; White, James L.
- ACS Catalysis, Vol. 5, Issue 5
Facet Dependence of CO 2 Reduction Paths on Cu Electrodes
journal, December 2015
- Luo, Wenjia; Nie, Xiaowa; Janik, Michael J.
- ACS Catalysis, Vol. 6, Issue 1
In Situ Spectroscopic Study of CO 2 Electroreduction at Copper Electrodes in Acetonitrile
journal, March 2016
- Figueiredo, Marta C.; Ledezma-Yanez, Isis; Koper, Marc T. M.
- ACS Catalysis, Vol. 6, Issue 4
Mechanism of CO 2 Reduction at Copper Surfaces: Pathways to C 2 Products
journal, January 2018
- Garza, Alejandro J.; Bell, Alexis T.; Head-Gordon, Martin
- ACS Catalysis, Vol. 8, Issue 2
Electrochemical Carbon Monoxide Reduction on Polycrystalline Copper: Effects of Potential, Pressure, and pH on Selectivity toward Multicarbon and Oxygenated Products
journal, July 2018
- Wang, Lei; Nitopi, Stephanie A.; Bertheussen, Erlend
- ACS Catalysis, Vol. 8, Issue 8
Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO 2 Fixation
journal, June 2013
- Appel, Aaron M.; Bercaw, John E.; Bocarsly, Andrew B.
- Chemical Reviews, Vol. 113, Issue 8
Two Pathways for the Formation of Ethylene in CO Reduction on Single-Crystal Copper Electrodes
journal, June 2012
- Schouten, Klaas Jan P.; Qin, Zisheng; Pérez Gallent, Elena
- Journal of the American Chemical Society, Vol. 134, Issue 24
Electrocatalytic Conversion of Carbon Dioxide to Methane and Methanol on Transition Metal Surfaces
journal, August 2014
- Kuhl, Kendra P.; Hatsukade, Toru; Cave, Etosha R.
- Journal of the American Chemical Society, Vol. 136, Issue 40
Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111)
journal, January 2016
- Xiao, Hai; Cheng, Tao; Goddard, William A.
- Journal of the American Chemical Society, Vol. 138, Issue 2
Intrinsic Selectivity and Structure Sensitivity of Rhodium Catalysts for C 2+ Oxygenate Production
journal, March 2016
- Yang, Nuoya; Medford, Andrew J.; Liu, Xinyan
- Journal of the American Chemical Society, Vol. 138, Issue 11
Unifying Kinetic and Thermodynamic Analysis of 2 e – and 4 e – Reduction of Oxygen on Metal Surfaces
journal, March 2014
- Hansen, Heine A.; Viswanathan, Venkatasubramanian; Nørskov, Jens K.
- The Journal of Physical Chemistry C, Vol. 118, Issue 13
Electrochemical Reduction of CO at a Copper Electrode
journal, September 1997
- Hori, Yoshio; Takahashi, Ryutaro; Yoshinami, Yuzuru
- The Journal of Physical Chemistry B, Vol. 101, Issue 36
Structure of the First Solvation Shell of the Hydroxide Anion. A Model Study Using OH - (H 2 O) n ( n = 4, 5, 6, 7, 11, 17) Clusters
journal, October 1997
- Novoa, Juan J.; Mota, Fernando; Perez del Valle, Carlos
- The Journal of Physical Chemistry A, Vol. 101, Issue 42
Controlling Catalytic Selectivities during CO 2 Electroreduction on Thin Cu Metal Overlayers
journal, July 2013
- Reske, Rulle; Duca, Matteo; Oezaslan, Mehtap
- The Journal of Physical Chemistry Letters, Vol. 4, Issue 15
Improving the hydrogen oxidation reaction rate by promotion of hydroxyl adsorption
journal, February 2013
- Strmcnik, Dusan; Uchimura, Masanobu; Wang, Chao
- Nature Chemistry, Vol. 5, Issue 4
Understanding trends in electrochemical carbon dioxide reduction rates
journal, May 2017
- Liu, Xinyan; Xiao, Jianping; Peng, Hongjie
- Nature Communications, Vol. 8, Issue 1
Stabilization of ultrathin (hydroxy)oxide films on transition metal substrates for electrochemical energy conversion
journal, May 2017
- Zeng, Zhenhua; Chang, Kee-Chul; Kubal, Joseph
- Nature Energy, Vol. 2, Issue 6
Construction of Pd-Zn dual sites to enhance the performance for ethanol electro-oxidation reaction
journal, September 2021
- Qiu, Yajun; Zhang, Jian; Jin, Jing
- Nature Communications, Vol. 12, Issue 1
Metal ion cycling of Cu foil for selective C–C coupling in electrochemical CO2 reduction
journal, January 2018
- Jiang, Kun; Sandberg, Robert B.; Akey, Austin J.
- Nature Catalysis, Vol. 1, Issue 2
New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces
journal, January 2012
- Kuhl, Kendra P.; Cave, Etosha R.; Abram, David N.
- Energy & Environmental Science, Vol. 5, Issue 5
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000
- Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
- The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic
journal, February 2013
- Limmer, David T.; Willard, Adam P.; Madden, Paul
- Proceedings of the National Academy of Sciences, Vol. 110, Issue 11
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
- Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
- Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
Combining theory and experiment in electrocatalysis: Insights into materials design
journal, January 2017
- Seh, Zhi Wei; Kibsgaard, Jakob; Dickens, Colin F.
- Science, Vol. 355, Issue 6321
First-principles extrapolation method for accurate CO adsorption energies on metal surfaces
text, January 2003
- Mason, Sara E.; Grinberg, Ilya; Rappe, Andrew M.
- arXiv
Works referencing / citing this record:
Electrode Materials Engineering in Electrocatalytic CO 2 Reduction: Energy Input and Conversion Efficiency
journal, October 2019
- Song, Rong‐Bin; Zhu, Wenlei; Fu, Jiaju
- Advanced Materials
Hydroxide Is Not a Promoter of C 2+ Product Formation in the Electrochemical Reduction of CO on Copper
journal, March 2020
- Li, Jing; Wu, Donghuan; Malkani, Arnav S.
- Angewandte Chemie, Vol. 132, Issue 11
The Crucial Role of Charge Accumulation and Spin Polarization in Activating Carbon‐Based Catalysts for Electrocatalytic Nitrogen Reduction
journal, March 2020
- Yang, Yuanyuan; Zhang, Lifu; Hu, Zhenpeng
- Angewandte Chemie, Vol. 132, Issue 11
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
The Crucial Role of Charge Accumulation and Spin Polarization in Activating Carbon‐Based Catalysts for Electrocatalytic Nitrogen Reduction
journal, February 2020
- Yang, Yuanyuan; Zhang, Lifu; Hu, Zhenpeng
- Angewandte Chemie International Edition, Vol. 59, Issue 11
Structure‐Tunable Copper–Indium Catalysts for Highly Selective CO 2 Electroreduction to CO or HCOOH
journal, August 2019
- Zhu, Minghui; Tian, Pengfei; Li, Jiayu
- ChemSusChem, Vol. 12, Issue 17
Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane
journal, July 2019
- Zhang, Haochen; Chang, Xiaoxia; Chen, Jingguang G.
- Nature Communications, Vol. 10, Issue 1
Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold
journal, January 2020
- Ringe, Stefan; Morales-Guio, Carlos G.; Chen, Leanne D.
- Nature Communications, Vol. 11, Issue 1
Hydroxide promotes carbon dioxide electroreduction to ethanol on copper via tuning of adsorbed hydrogen
journal, December 2019
- Luo, Mingchuan; Wang, Ziyun; Li, Yuguang C.
- Nature Communications, Vol. 10, Issue 1
Bio-inspired hydrophobicity promotes CO2 reduction on a Cu surface
journal, August 2019
- Wakerley, David; Lamaison, Sarah; Ozanam, François
- Nature Materials, Vol. 18, Issue 11
Synergistic enhancement of electrocatalytic CO2 reduction to C2 oxygenates at nitrogen-doped nanodiamonds/Cu interface
journal, January 2020
- Wang, Hongxia; Tzeng, Yan-Kai; Ji, Yongfei
- Nature Nanotechnology, Vol. 15, Issue 2
Two-dimensional copper nanosheets for electrochemical reduction of carbon monoxide to acetate
journal, April 2019
- Luc, Wesley; Fu, Xianbiao; Shi, Jianjian
- Nature Catalysis, Vol. 2, Issue 5
Designing materials for electrochemical carbon dioxide recycling
journal, July 2019
- Ross, Michael B.; De Luna, Phil; Li, Yifan
- Nature Catalysis, Vol. 2, Issue 8
Mechanistic study on Cu-catalyzed CO 2 electroreduction into CH 4 at simulated low overpotentials based on an improved electrochemical model
journal, January 2019
- Ou, Lihui; Chen, Junxiang; Chen, Yuandao
- Physical Chemistry Chemical Physics, Vol. 21, Issue 28
Silicon-doped graphene edges: an efficient metal-free catalyst for the reduction of CO 2 into methanol and ethanol
journal, January 2019
- Mao, Xin; Kour, Gurpreet; Zhang, Lei
- Catalysis Science & Technology, Vol. 9, Issue 23
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
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
Selective reduction of CO to acetaldehyde with CuAg electrocatalysts
journal, January 2020
- Wang, Lei; Higgins, Drew C.; Ji, Yongfei
- Proceedings of the National Academy of Sciences, Vol. 117, Issue 23
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
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
- Li, Jing; Wu, Donghuan; Malkani, Arnav S.
- Angewandte Chemie, Vol. 132, Issue 11
Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane
journal, July 2019
- Zhang, Haochen; Chang, Xiaoxia; Chen, Jingguang G.
- Nature Communications, Vol. 10, Issue 1
Hydroxide promotes carbon dioxide electroreduction to ethanol on copper via tuning of adsorbed hydrogen
journal, December 2019
- Luo, Mingchuan; Wang, Ziyun; Li, Yuguang C.
- Nature Communications, Vol. 10, Issue 1
Figures / Tables found in this record:
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.