Theoretical study of the adsorption and dissociation of oxygen on Pt(111) in the presence of homogeneous electric fields

Journal of Physical Chemistry B

Volumn 109, Issue 13, 2005, Pages 6304-6310

  Hyman, Matthew P ^a   Will Medlin, J ^a  

^a UCB 450   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; CLUSTER SIZE; HOMOGENEOUS ELECTRIC FIELDS; SURFACE DIPOLE MOMENT;

ACTIVATION ENERGY; ADSORPTION; BINDING ENERGY; DISSOCIATION; ELECTRIC FIELD EFFECTS; ELECTROSTATICS; NUCLEAR ENERGY; PLATINUM; PROBABILITY DENSITY FUNCTION; SUBSTRATES;

OXYGEN;

EID: 17044421700     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp045155y     Document Type: Article

References (60)

1. Bocquet, M. L.; Gerda, J.; Sautet, P. Phys. Rev. B 1999, 59, 15437.
2. Eichler, A.; Hafner, J. Phys. Rev. Lett. 1997, 79, 4481.
3. Eichler, A.; Mittendorfer, F.; Hafner, J. Phys. Rev. B 2000, 62, 4744.
4. Sljivancanin, Z.; Hammer, B. Surf. Sci. 2002, 515, 235.
5. Watwe, R. M.; Cortright, R. D.; Mavrikakis, M.; Norskov, J. K.; Dumesic, J. A. J. Chem. Phys. 2001, 114, 4663.
6. Steininger, H.; Lehwald, S.; Ibach, H. Surf. Sci. 1982, 123, 1.
7. Avery, N. R. Chem. Phys. Lett. 1983, 96, 371.
8. Nolan, P. D.; Lutz, B. R.; Tanaka, P. L.; Davis, J. E.; Mullins, C. B. J. Chem. Phys. 1999, 111, 3696.
9. Nolan, P. D.; Lutz, B. R.; Tanaka, P. L.; Davis, J. E.; Mullins, C. B. Phys. Rev. Lett. 1998, 81, 3179.
10. Outka, D. A.; Stohr, J.; Jark, W.; Stevens, P.; Solomon, J.; Madix, R. J. Phys. Rev. B 1987, 35, 4119.
11. Stohr, J.; Gland, J. L.; Eberhardt, W.; Outka, D.; Madix, R. J.; Seite, F.; Koestner, R. J.; Doebler, U. Phys. Rev. Lett. 1983, 51, 2414.
12. Grimblot, J.; Luntz, A. C.; Fowler, D. E. J. Electron Spectrosc. Relat. Phenom. 1990, 52, 161.
13. Gland, J. L.; Korchak, V. N. Surf. Sci. 1978, 75, 733.
14. Gland, J. L.; Sexton, B. A.; Fisher, G. B. Surf. Sci. 1980, 95, 587.
15. Gland, J. L. Surf. Sci. 1980, 93, 487.
16. Luntz, A. C.; Grimblot, J.; Fowler, D. E. Phys. Rev. B 1989, 39, 12903.
17. Gland, J. L.; Fisher, G. B.; Kollin, E. B. J. Catal. 1982, 77, 263.
18. Creighton, J. R.; White, J. M. Surf. Sci. 1982, 122, L648.
19. Fisher, G. B.; Gland, J. L.; Schmieg, S. J. J. Vac. Sci. Technol. 1982, 20, 518.
20. Ogle, K. M.; Creighton, J. R.; Luftman, H. S.; White, J. M. J. Chem. Phys. 1983, 78, 5839.
21. Ogle, K. M.; White, J. M. Surf. Sci. 1984, 139, 43.
22. Ogle, K. M.; White, J. M. Surf. Sci. 1986, 169, 425.
23. Mitchell, G. E.; Akhter, S.; White, J. M. Surf. Sci. 1986, 166, 283.
24. Mitchell, G. E.; Akhter, S.; White, J. M. J. Vac. Sci. Technol. A 1986, 4, 1472.
25. Anton, A. B.; Cadogan, D. C. Surf. Sci. 1990, 259, L548.
26. Hellsing, B.; Kasemo, B.; Zhdanov, V. P. J. Catal. 1991, 132, 210.
27. Anton, A. B.; Cadogan, D. C. J. Vac. Sci. Technol, A: Vac. Surf. Films 1991, 9, 1890.
28. Capitano, A. T.; Gabelnick, A. M.; Gland, J. L. Surf. Sci. 1999, 419, 104.
29. Michaelides, A.; Hu, P. J. Am. Chem. Soc. 2001, 123, 4235.
30. Michaelides, A.; Hu, P. J. Chem. Phys. 2001, 114, 513.
31. Nagasaka, M.; Kondoh, H.; Amemiya, K.; Nambu, A.; Nakai, I.; Shimada, T.; Ohta, T. J. Chem. Phys. 2003, 119, 9233.
32. Stamenkovic, V.; Schmidt, T. J.; Ross, P. N.; Markovic, N. M. J. Phys. Chem. B 2002, 106, 11970.
33. Paulus, U. A.; Wokaun, A.; Scherer, G. G.; Schmidt, T. J.; Stamenkovic, V.; Markovic, N. M.; Ross, P. N. Electrochim. Acta 2002, 47, 3787.
34. Paulus, U. A.; Wokaun, A.; Scherer, G. G.; Schmidt, T. J.; Stamenkovic, V.; Radmilovic, V.; Markovic, N. M.; Ross, P. N. J. Phys. Chem. B 2002, 106, 4181.
35. Sepa, D. B.; Vojnovic, M. V.; Damjanovic, A. Electrochim. Acta 1981, 26, 781.
36. Sepa, D. B.; Vojnovic, M. V.; Vracar, L. M.; Damjanovic, A. Electrochim. Acta 1987, 32, 129.
37. Ghoneim, M. M.; Clouser, S.; Yeager, E. J. Electrochem. Soc. 1985, 132, 1160.
38. Yeager, E.; Razaq, M.; Gervasio, D.; Razak, A.; Tryk, A. D. The electrolyte factor in Oz reduction electrocatalysis. Proceedings, Structural Effects on Electrocatalysis and Oxygen Electrochemistry, 1991, Cleveland, OH. Scherson, D., Tryk, M., Daroux, M., Xing, X., Eds.; Electrochemical Society Proceedings, Vol. 92-11, ECS: Pennington, NJ, 1992.
39. Yeager, E.; Razaq, M.; Gervasio, D.; Razak, A.; Tryk, A. D. The electrolyte factor in Oz reduction electrocatalysis. Proceedings, Structural Effects on Electrocatalysis and Oxygen Electrochemistry, 1991, Cleveland, OH. Scherson, D., Tryk, M., Daroux, M., Xing, X., Eds.; Electrochemical Society Proceedings, Vol. 92-11, ECS: Pennington, NJ, 1992.
40. Anderson, A. B.; Albu, T. V. J. Electrochem. Soc. 2000, 147, 4229.
41. Sidik, R. A.; Anderson, A. B. J. Electroanal. Chem. 2002, 528, 69.
42. Li, T.; Balbuena, P. B. Chem. Phys. Lett. 2003, 367, 439.
43. Nazmutdinov, R. R.; Shapnik, M. S. Electrochim. Acta 1996, 41, 2253.
44. Koper, M. T. M.; van Santen, R. A.; Wasileski, S. A.; Weaver, M. J. J. Chem. Phys. 2000, 113, 4392.
45. Koper, M. T. M.; van Santen, R. A. J. Electroanal. Chem. 1999, 472, 126.
46. Wasileski, S. A.; Koper, M. T. M.; Weaver, M. J. J. Chem. Phys. 2001, 115, 8193.
47. Liu, P.; Logadottir, A.; Norskov, J. K. Electrochim. Acta 2003, 48, 3731.
48. Amsterdam Density Functional; ADF2002.03 ed.; Vrije Universiteit, Department of Theoretical Chemistry, Amsterdam, 2002.
49. Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41
50. Velde, G. T.; Bickelhaupt, F. M.; Baerends, E. J.; Guerra, C. F.; Van Gisbergen, S. J. A.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931.
51. Kittel, C. Introduction to Solid State Physics, seventh ed.; John Wiley & Sons: New York, 1996.
52. Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
53. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46, 6671.
54. Hammer, B.; Hansen, L. B.; Norskov, J. K. Phys. Rev. B 1999, 59, 7413.
55. http://www.fysik.dtu.dk/campos/Dacapo/.Dacapo.
56. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
57. Wasileski, S. A.; Weaver, M. J.; Koper, M. T. M. J. Electroanal. Chem. 2001, 500, 344.
58. Wasileski, S. A.; Weaver, M. J. J. Phys. Chem. B 2002, 106, 4782.
59. Derry, O. N.; Ross, P. N. J. Chem. Phys. 1985, 82, 2772.
60. Hohenegger, M.; Bechtold, E.; Schennach, R. Surf. Sci. 1998, 413, 184.