Structure effects on the energetics of the electrochemical reduction of CO2 by copper surfaces

Surface Science

Volumn 605, Issue 15-16, 2011, Pages 1354-1359

  Durand, William J ^a,d   Peterson, Andrew A ^a,c   Studt, Felix ^b   Abild Pedersen, Frank ^b   Nørskov, Jens K ^a,b  

^a Stanford University   (United States)

^b SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^c TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^d UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

Catalysis; Density functional calculations

Indexed keywords

ACTIVE SURFACES; CLOSE-PACKED SURFACES; COMPUTATIONAL DATA; COPPER SURFACE; DENSITY-FUNCTIONAL CALCULATIONS; ELECTRO REDUCTION; ELECTROCHEMICAL REDUCTIONS; EXPERIMENTAL DATA; HIGH SELECTIVITY; POLYCRYSTALLINE COPPER; STRUCTURE EFFECT; SURFACE BINDING; VOLTAGE REQUIREMENT;

COPPER; ELECTROCATALYSTS; ELECTROLYTIC REDUCTION; FORMIC ACID;

CARBON DIOXIDE;

EID: 79959848010     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.04.028     Document Type: Article

References (31)

1. Y. Hori, K. Kikuchi, and S. Suzuki Chemistry Letters 14 11 1985 1695
2. Y. Hori, K. Kikuchi, A. Murata, and S. Suzuki Chemistry Letters 15 6 1986 897
3. Andrew A. Peterson, Frank Abild-Pedersen, Felix Studt, Jan Rossmeisl, and Jens K. Nørskov Energy & Environmental Science 3 9 2010 1311
4. Y. Hori, A. Murata, and R. Takahashi Journal of the Chemical Society, Faraday Transactions 1 85 8 1989 2309
5. J.K. Nørskov, T. Bligaard, A. Logadottir, S. Bahn, L.B. Hansen, M. Bollinger, H. Bengaard, B. Hammer, Z. Sljivancanin, M. Mavrikakis, Y. Xu, S. Dahl, and C.J.H. Jacobsen Journal of Catalysis 209 2 2002 275
6. K.W. Frese Jr. B.P. Sullivan, K. Krist, H.E. Guard, Electrochemical and Electrocatalytic Reactions of Carbon Dioxide 1993 Elsevier 145 chapter 6
7. Y. Hori, H. Wakebe, T. Tsukamoto, and O. Koga Surface Science 335 1995 258
8. Yoshio Hori, Ichiro Takahashi, Osamu Koga, and Nagahiro Hoshi The Journal of Physical Chemistry B 106 1 January 2002 15
9. Ichiro Takahashi, Osamu Koga, Nagahiro Hoshi, and Yoshio Hori Journal of Electroanalytical Chemistry 533 1-2 2002 135
10. Y. Hori, I. Takahashi, O. Koga, and N. Hoshi Journal of Molecular Catalysis A: Chemical 199 1-2 2003 39
11. J.K. Nørskov, J. Rossmeisl, A. Logadottir, L. Lindqvist, J.R. Kitchin, T. Bligaard, and H. Jonsson The Journal of Physical Chemistry B 108 46 2004 17886
12. Jeff Greeley, and Manos Mavrikakis Journal of Catalysis 208 2 2002 291
13. B. Hammer, and J.K. Nørskov Theoretical surface science and catalysis-calculations and concepts Helmut Knozinger, Bruce C. Gates, Impact of Surface Science on Catalysis, volume 45 of Advances in Catalysis 2000 Academic Press 71
14. Karl-Heinz Ernst, Charles T. Campbell, and Giuliano Moretti Journal of Catalysis 134 1 1992 66
15. Ching-Shiun Chen, and Wu-Hsun Cheng Catalysis Letters 83 3 November 2002 121
16. Ping Liu, and Jose A. Rodriguez The Journal of Chemical Physics 126 16 2007 164705
17. Amit A. Gokhale, James A. Dumesic, and Manos Mavrikakis Journal of the American Chemical Society 130 4 January 2008 1402
18. Y. Yang, C. Mims, R. Disselkamp, C. Peden, and C. Campbell Topics in Catalysis 52 2009 1440
19. Qian-Lin Tang, Zhao-Xu Chen, and Xiang He Surface Science 603 13 2009 2138
20. Ching S. Chen, Jia H. Wu, and Tzu W. Lai The Journal of Physical Chemistry C 114 35 2010 15021
21. Richard Knapp, Sonja A. Wyrzgol, Andreas Jentys, and Johannes A. Lercher Journal of Catalysis 276 2 2010 280
22. L.C. Grabow, and M. Mavrikakis ACS Catalysis 1 4 2011 365
23. S.R. Bahn, and K.W. Jacobsen Computing in Science & Engineering 4 3 2002 56
24. Both Dacapo and ASE are open-source code available from the Department of Physics at the Technical University of Denmark and are available at http://www.camd.dtu.dk/software.aspx.
25. B. Hammer, L.B. Hansen, and J.K. Nørskov Physical Review B 59 11 Mar 1999 7413
26. David Vanderbilt Physical Review B 41 11 Apr 1990 7892
27. M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, and J.D. Joannopoulos Reviews of Modern Physics 64 4 Oct 1992 1045
28. Christopher J. Cramer Essentials of Computational Chemistry 2nd edition 2004 Wiley
29. J. Rossmeisl, J. Greeley, and G.S. Karlberg Marc T.M. Koper, Fuel Cell Catalysis: A Surface Science Approach 2009 Wiley 57 chapter 3
30. G.S. Karlberg, and G. Wahnström Physical Review Letters 92 13 Apr 2004 136103
31. Vladimir Tripkovic, Egill Skúlason, Samira Siahrostami, Jens K. Nørskov, and Jan Rossmeisl Electrochimica Acta 55 27 2010 7975