Theoretical insights into a CO dimerization mechanism in CO2 electroreduction

Journal of Physical Chemistry Letters

Volumn 6, Issue 11, 2015, Pages 2032-2037

  Montoya, Joseph H ^a   Shi, Chuan ^a   Chan, Karen ^a   Nørskov, Jens K ^a,b  

^a Stanford University   (United States)

^b SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

Author keywords

CO2 electroreduction; density functional theory; electrocatalysis; solar fuels

Indexed keywords

CARBON DIOXIDE; DIMERIZATION; ELECTROCATALYSIS; ELECTROLYTIC REDUCTION;

ACTIVATION BARRIERS; ADSORPTION ENERGIES; DIMER CONFIGURATION; ELECTRO REDUCTION; HIGH ACTIVITY; METAL SURFACES; OVER POTENTIAL; SOLAR FUELS;

DENSITY FUNCTIONAL THEORY;

EID: 84930647365     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.5b00722     Document Type: Article

References (22)

1. 2 on Metallic Silver Surfaces Phys. Chem. Chem. Phys. 2014, 16, 13814-13819
2. Kuhl, K. P.; Hatsukade, T.; Cave, E. R.; Abram, D. N.; Kibsgaard, J.; Jaramillo, T. F. Electrocatalytic Conversion of Carbon Dioxide to Methane and Methanol on Transition Metal Surfaces J. Am. Chem. Soc. 2014, 136, 14107-14113
3. Kuhl, K. P.; Cave, E. R.; Abram, D. N. New Insights Into the Electrochemical Reduction of Carbon Dioxide on Metallic Copper Surfaces Energy Env. Sci. 2012, 5, 7050-7059
4. 2 Reduction on Metal Electrodes. In Modern Aspects of Electrochemistry; Springer New York: New York, 2008; Vol. 42, pp 89-189.
5. Schouten, K.; Kwon, Y.; Van der Ham, C.; Qin, Z. A New Mechanism for the Selectivity to C1 and C2 Species in the Electrochemical Reduction of Carbon Dioxide on Copper Electrodes Chem. Sci. 2011, 2, 1902-1909
6. Schouten, K. J. P.; Gallent, E. P.; Koper, M. T. M. Structure Sensitivity of the Electrochemical Reduction of Carbon Monoxide on Copper Single Crystals ACS Catal. 2013, 3, 1292-1295
7. Schouten, K. J. P.; Qin, Z.; Gallent, E. P.; Koper, M. T. M. Two Pathways for the Formation of Ethylene in CO Reduction on Single-Crystal Copper Electrodes J. Am. Chem. Soc. 2012, 134, 9864-9867
8. Li, C. W.; Ciston, J.; Kanan, M. W. Electroreduction of Carbon Monoxide to Liquid Fuel on Oxide-Derived Nanocrystalline Copper Nature 2014, 508, 504-507
9. 2O-Derived Copper Nanoparticles: Controlling the Catalytic Selectivity of Hydrocarbons Phys. Chem. Chem. Phys. 2014, 16, 12194-12201
10. 2 Electroreduction on Copper Electrodes ChemCatChem 2013, 5, 737-742
11. 2 Species on Cu(100) Electrodes Angew. Chem. 2013, 125, 7423-7426
12. 2 by Copper Surfaces Surf. Sci. 2011, 605, 1354-1359
13. Nørskov, J. K.; Rossmeisl, J.; Logadottir, A. Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode J. Phys. Chem. B 2004, 108, 17886-17892
14. Nørskov, J. K.; Studt, F.; Abild-Pedersen, F.; Bligaard, T. Fundamental Concepts in Heterogeneous Catalysis; John Wiley & Sons, Inc: Hoboken, NJ, 2014.
15. Peterson, A. A.; Abild-Pedersen, F.; Studt, F.; Rossmeisl, J.; Nørskov, J. K. How Copper Catalyzes the Electroreduction of Carbon Dioxide Into Hydrocarbon Fuels Energy Environ. Sci. 2010, 3, 1311-1315
16. Skulason, E.; Karlberg, G. S.; Rossmeisl, J.; Bligaard, T.; Greeley, J.; Jonsson, H.; Nørskov, J. K. Density Functional Theory Calculations for the Hydrogen Evolution Reaction in an Electrochemical Double Layer on the Pt(111) Electrode Phys. Chem. Chem. Phys. 2007, 9, 3241-3250
17. Kötz, E. R.; Neff, H.; Müller, K. A. UPS, XPS and Work Function Study of Emersed Silver, Platinum and Gold Electrodes J. Electroanal. Chem. Int. Chem. 1986, 215, 331-344
18. Bard, A. J.; Faulkner, L. R. Electrochemical Methods: Fundamentals and Applications; John Wiley & Sons: West Sussex, U.K., 1980.
19. Peterson, A. A.; Abild-Pedersen, F.; Studt, F.; Rossmeisl, J.; Nørskov, J. K. How Copper Catalyzes the Electroreduction of Carbon Dioxide Into Hydrocarbon Fuels Energy Environ. Sci. 2010, 3, 1311-1315
20. Gohda, Y.; Schnur, S.; Groß, A. Influence of Water on Elementary Reaction Steps in Electrocatalysis Faraday Discuss. 2009, 140, 233-244
21. Bondarenko, A. S.; Stephens, I. E. L.; Hansen, H. A.; Pérez-Alonso, F. J.; Tripkovic, V.; Johansson, T. P.; Rossmeisl, J.; Nørskov, J. K.; Chorkendorff, I. The Pt(111)/Electrolyte Interface Under Oxygen Reduction Reaction Conditions: An Electrochemical Impedance Spectroscopy Study Langmuir 2011, 27, 2058-2066
22. Randles, J. E. B. The Real Hydration Energies of Ions Trans. Faraday Soc. 1956, 52, 1573-1581