First-principles investigations of electrochemical oxidation of hydrogen at solid oxide fuel cell operating conditions

Journal of the Electrochemical Society

Volumn 154, Issue 9, 2007, Pages

  Mukherjee, Joydeep ^a   Linic, Suljo ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTROCATALYSIS; ELECTROCHEMICAL OXIDATION; ELECTRODES; ENERGY ABSORPTION; SOLID OXIDE FUEL CELLS (SOFC); STATISTICAL MECHANICS;

ELECTROCHEMICAL ACTIVITY; EXOTHERMIC INTERACTIONS; METAL SURFACES;

HYDROGEN;

EID: 34547554096     PISSN: 00134651     EISSN: None     Source Type: Journal    
DOI: 10.1149/1.2752983     Document Type: Article

References (41)

1. C. Song, Catal. Today, 77, 17 (2000).
2. S. C. Singhal, Solid State Ionics, 135, 305 (2000).
3. W. G. Parker and F. P. Bevc, Proceedings of the 2nd International Fuel Cell Conference, Kobe, Japan, p. 275 (1996).
4. S. C. Singhal and K. Kendall, High-temperature Solid Oxide Fuel Cells: Fundamentals, Design and Applications, Elsevier, New York (2003).
5. P. W. Atkins and J. de Paula, Physical Chemistry, 7th ed, W.H. Freeman and Company, New York (2002).
6. B. de Boer, Ph.D. Thesis, University of Twente, Twente, The Netherlands (1998).
7. S. P. Jiang and S. P. S. Badwal, J. Electrochem. Soc., 144, 3777 (1997).
8. J. Mizusaki, Solid State Ionics, 70/71, 52 (1994).
9. A. Bieberle, Ph.D. Thesis, ETH Zurich, Zurich (2000).
10. M. Mogensen, K. V. Jensen, M. J. Jorgensen, and S. Primdahl, Solid State Ionics, 150, 123 (2002).
11. K. Reuter and M. Scheffler, Phys. Rev. Lett., 90, 046103 (2003).
12. L. J. Broadbelt and R. Q. Snurr, Appl. Catal., A, 200, 23 (2000).
13. C. J. H. Jacobsen, S. Dahl, A. Boisen, B. S. Clausen, H. Topsoe, A. Logadottir, and J. K. Nørskov, J. Catal., 205, 382 (2002).
14. S. Linic, J. Jankowiak, and M. A. Barteau, J. Catal., 224, 489 (2004).
15. J. K. Nørskov, J. Rossmeisl, A. Logadottir, L. Lindqvist, J. R. Kitchin, T. Bligaard, and H. Jónsson, J. Phys. Chem. B, 108, 17886 (2004).
16. P. Strasser, Q. Fan, M. Devenney, W. H. Weinberg, P. Liu, and J. K. Nørskov, J. Phys. Chem. B, 107, 11013 (2003).
17. D. Cao, G. Q. Liu, A. Wieckowski, S. A. Wasileski, and M. Neurock, J. Phys. Chem. B, 109, 11622 (2005).
18. NIST Chemistry WebBook, http://webbook.nist.gov/chemistry
19. Dacapo (v.2.7.7) documentation, http://dcwww.camp.dtu.dk/campos/Dacapo/ documentation.html, Date modified: April 6, 2006.
20. L. Bengtsson, Phys. Rev. B, 59, 12301 (1999).
21. D. Vanderbilt, Phys. Rev. B, 41, 7892 (1990).
22. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B, 46, 6671 (1992).
23. H. J. Monkhorst and J. D. Pack, Phys. Rev. B, 13, 5188 (1976).
24. D. A. McQuarrie, Statistical Mechanics, Chap. and, University Science Books, Sausalito, California (2000).
25. S. Linic and M. A. Barteau, J. Catal., 214, 200 (2003).
26. S. Laursen and S. Linic, Phys. Rev. Lett., 97, 026101 (2006).
27. J. Rossmeisl, J. K. Nørskov, C. D. Taylor, M. J. Janik, and M. Neurock, J. Phys. Chem. B, 110, 21833 (2006).
28. C. D. Taylor, S. A. Wasileski, J. S. Filhol, and M. Neurock, Phys. Rev. B, 73, 165402 (2006).
29. J. J. Mortensen, B. Hammer, and J. K. Nørskov, Surf. Sci., 414, 315 (1998).
30. S. Linic and M. A. Barteau, J. Am. Chem. Soc., 126, 8086 (2004).
31. E. Nikolla, A. Holewinski, J. Schwank, and S. Linic, J. Am. Chem. Soc., 128, 11354 (2006).
32. C. M. Grgicak, R. G. Green, and J. B. Giorgi, J. Mater. Chem., 16, 885 (2006).
33. S.-I. Lee, J. M. Vohs, and R. J. Gorte, J. Electrochem. Soc., 151, A1319 (2004).
34. O. Kazihuto and K. Sato, J. Ceram. Proc. Res., 3, 114117 (2002).
35. S. Park, J. M. Vohs, and R. J. Gorte, Nature (London), 404, 265 (2000).
36. T. Bligaard, J. K. Nørskov, S. Dahl, J. Matthiesen, C. H. Christensen, and J. S. Sehested, J. Catal., 224, 206 (2004).
37. K. J. Laidler, Chemical Kinetics, 3rd ed., p. 244, Benjamin-Cummings, New York (1997).
38. J. K. Nørskov, J. Catal., 209, 275 (2002).
39. T. Horita, N. Sakai, T. Kawada, H. Yokokawa, and M. Dokiya, J. Electrochem. Soc., 143, 1161 (1996).
40. M. Suzuki, H. Sasaki, S. Otoshi, A. Kajimura, and M. Ippommatsu, Solid State Ionics, 62, 125 (1993).
41. N. P. Brandon, S. Skinner, and B. C. H. Steele, Annu. Rev. Mater. Res., 33, 183 (2003).