Modeling the electro-oxidation of CO and H2/CO on Pt, Ru, PtRu and Pt3Sn

Electrochimica Acta

Volumn 48, Issue 25-26, 2003, Pages 3731-3742

  Liu, P ^a   Logadottir, A ^a   Norskov J K ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

Bifunctional effect; Density functional theory; Electro oxidation; Ligand effect; Platinum alloy

Indexed keywords

ADSORPTION; CARBON MONOXIDE; FUEL CELLS; PLATINUM COMPOUNDS; PROBABILITY DENSITY FUNCTION;

LIGANDS;

OXIDATION;

EID: 0141988540     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0013-4686(03)00538-3     Document Type: Conference Paper

References (77)

1. Gotz M., Wendt H. Electrochim. Acta. 43:1998;3637.
2. Lemons R.A. J. Power Sources. 29:1990;251.
3. Korotkikh O., Farrauto R. Catal. Today. 62:2000;249.
4. Grgur B.N., Markovic N.M., Ross P.N. Jr. J. Phys. Chem. B. 146:1999;1613.
5. Igarashi H., Fujino T., Zhu Y.M., Uchida H., Watanabe M. Phys. Chem. Chem. Phys. 3:2001;306.
6. Watanabe M., Zhu Y.M., Igarashi H., Uchida H. Electrochmistry. 68:2000;244.
7. Gasteiger H.A., Markovic N.M., Ross P.N. Jr., Cairns E.J. J. Phys. Chem. 98:1994;617.
8. Kabbabi A., Faure R., Durand R., Beden B., Hahn F., Leger J.M., Lamy C. J. Electroanal. Chem. 444:1998;41.
9. Rolison D.R. Langmuir. 15:1999;774.
10. Buatier de Mongeot F., Scherer M., Gleich B., Kopatzki E., Behm R.J. Surf. Sci. 411:1998;249.
11. Wang K., Gasteiger H.A., Markovic N.M., Ross P.N. Jr. Electrochim. Acta. 41:1996;2587.
12. Gasteiger H.A., Markovic N.M., Ross P.N. Jr. Catal. Lett. 36:1996;1.
13. Gasteiger H.A., Markovic N.M., Ross P.N. Jr. J. Phys. Chem. 99:1995;8945.
14. Grgur B.N., Markovic N.M., Ross P.N. Jr. Electrochim. Acta. 43:1998;3631.
15. Hoogers G., Thompsett D. CATTECH. 3:1999;106.
16. Wolohan P., Mitchell P.C.H., Thompsett D., Cooper S.J. J. Mol. Catal. A. 119:1997;223.
17. Gasteiger H.A., Markovic N.M., Ross P.N. J. Phys. Chem. 99:1995;8290.
18. Grgur B.N., Markovic N.M., Ross P.N. Phys. Chem. 102:1998;2494.
19. Zawodzinski T.A., Springer T.E., Gottesfeld S. Abstracts of the Joint International Meeting of ECS and ISE. 97-2:1997;1228 The Electrochemistry Society, Paris.
20. Mukerjee S., McBreen J. J. Electrochem. Soc. 146:1999;600.
21. Markovic N.M., Ross P.N. Jr. CATTECH. 4:2000;110.
22. Haner A.N., Ross P.N., Bardi U., Atrei A. J. Vac. Sci. Technol. A. 10:1992;2718.
23. Markovic N.M., Widelov A., Ross P.N., Monteiro O.R., Brown I.G. Catal. Lett. 43:1997;166.
24. Giorgi L., Pozio A., Bracchini C., Giorgi R., Turtu S. J. Appl. Electrochem. 31:2001;325.
25. Watanabe M., Motoo S. J. Electroanal. Chem. 60:1975;275.
26. Watanabe M., Shibata M., Motoo S. J. Electroanal. Chem. 206:1986;197.
27. Ciureanu M., Wang H. J. New Mater. Electrochem. Syst. 3:2000;107.
28. Vanderbilt D. Phys. Rev. B. 41:1990;7892.
29. Perdew J.P., Burke K., Ernzerhof M. Phys. Rev. Lett. 77:1996;3865.
30. Hammer B., Hansen L.B., Nørskov J.K. Phys. Rev. B. 59:1999;7413.
31. The program DACAPO is available as open source software at http://www.fysik.dtu.dk/CAMPOS/.
32. Liu P., Nørskov J.K. Fuel Cells. 1:2001;192.
33. de Boer F.R., Boom R., Mattens W.C.M., Miedema A.R., Niessen A.K. Cohesion in Metals, Transition Metal Alloys. 1988;631 North-Holland, Amsterdam.
34. Sundaram V.S., Alben R.S., Robertson W.D. Surf. Sci. 46:1974;653.
35. Fujinaga Y. Surf. Sci. 64:1977;751.
36. Bardi U. Rep. Mod. Phys. 57:1994;939.
37. Haner A.N., Ross P.N. Jr., Bardi U. Catal. Lett. 8:1991;1.
38. Haner A.N., Ross P.N. Jr., Bardi U. Surf. Sci. 249:1991;15.
39. Villegas I., Weaver M.J. J. Chem. Phys. 101:1994;1648.
40. Shubina T.E., Koper M.T.M. Electrochim. Acta. 47:2002;3621.
41. Feibelman P.J., Hammer B., Nørskov J.K., Wagner F., Scheffler M., Stumpf R., Watwe R., Dumesic J. J. Phys. Chem. B. 105:2001;4018.
42. Watwe R.M., Cortright R.D., Mavriakis M., Nørskov J.K., Dumesic J.A. J. Chem. Phys. 114:2001;4663.
43. Davies J.C., Hayden B.E., Pegg D.J. Surf. Sci. 467:2000;118.
44. Schubert M.M., Kahlich M.J., Feldmeyer G., Huttner M., Hackenberg S., Gasteiger H.A., Behm R.J. Phys. Chem. Chem. Phys. 3:2001;1123.
45. Behm R.J. Acta Phys. Pol. 93:1998;259.
46. Koper M.T.M., Shubina T.E., van Santen R.A. J. Phys. Chem. B. 106:2002;686.
47. Ge Q., Desai S., Neurock M., Kourtakis K. J. Phys. Chem. B. 105:2001;9533.
48. Liao M.-S., Cabrera C.R., Ishikawa Y. Surf. Sci. 445:2000;267.
49. Ishikawa Y., Liao M.-S., Cabrera C.R. Surf. Sci. 513:2002;98.
50. Christoffersen E., Liu P., Ruban A., Skriver H.L., Nørskov J.K. J. Catal. 199:2001;123.
51. Ruban A., Hammer B., Stoltze P., Skriver H.L., Nørskov J.K. J. Mol. Catal. A. 115:1997;421.
52. Hammer B., Nørskov J.K. Adv. Catal. 45:2000;71.
53. Pallassana V., Neurock M. J. Catal. 191:2000;301.
54. Mavrikakis M., Hammer B., Nørskov J.K. Phys. Rev. Lett. 81:1998;2819.
55. Eichler A., Kresse G., Hafner J. Surf. Sci. 397:1998;116.
56. A. Ruban, private communication.
57. Pedersen M.Ø., Stensgaard I., Lægsgaard E., Hammer B., Nørskov J.K., Besenbacher F. Surf. Sci. 426:1999;395.
58. Anton A.B., Cadogan D.C. Surf. Sci. 239:1990;L548.
59. Ertl G., Neumann M., Streit K.M. Surf. Sci. 64:1977;393.
60. Gdowski G.E., Fair J.A., Madix R.J. Surf. Sci. 127:1983;541.
61. Lin W.F., Zei M.S., Eiswirth M., Ertl G., Iwasita T., Vielstich W. J. Phys. Chem. B. 103:1999;6968.
62. Santos E., Leiva E.P.M., Vielstich W. Electrochim. Acta. 36:1991;555.
63. Herrero E., Feliu J.M., Blais S., Radovic-Hrapovic Z., Jerkiewicz G. Langmuir. 11:2000;4779.
64. Lebedeva N.P., Koper M.T.M., Feliu J.M., van Santen R.A. J. Electroanal. Chem. 524-525:2002;241.
65. Koper M.T.M., Lukkien J.J., Jansen A.P.J., van Santen R.A. J. Phys. Chem. B. 103:1999;5522.
66. Christoffersen E., Stoltze P., Nørskov J.K. Surf. Sci. 505:2002;200.
67. Koper M.T.M., Van Santen R.A., Wasileski A.A., Weaver M.J. J. Chem. Phys. 113:2000;4392.
68. Mortensen J.J., Hammer B., Nørskov J.K. Surf. Sci. 414:1998;315.
69. Nørskov J.K., Holloway S., Lang N.D. Surf. Sci. 137:1984;65.
70. Nørskov J.K., Bligaard T., Logadottir A., Bahn S., Hansen L.B., Bollinger M., Bengaard H. J. Catal. 209:2002;275.
71. Logadottir A., Rod T.H., Nørskov J.K., Hammer B., Dahl S., Jacobsen C.J.H. J. Catal. 197:2001;229.
72. Liu Z.P., Hu P. J. Chem. Phys. 114:2001;8244.
73. Gasteiger H.A., Markovic N.M., Ross P.N. J. Phys. Chem. 99:1995;8290.
74. Vestergaard E.K., Thostrup P., An T., Lægsgaard E., Stensgaard I., Hammer B., Besenbacher F. Phys. Rev. Lett. 88:2002;259601.
75. Wang K., Gasteiger H.A., Markovic N.M., Ross P.N. Electrochim. Acta. 41:1996;2587.
76. Schmidt T.J., Gasteiger H.A., Behm R.J. J. New Mater. Electrochem. Syst. 2:1999;27.
77. Hammer B., Nørskov J.K. Nature. 376:1995;238.