Diffusion of a hydrogen atom on the Pd(1 1 1) surface: Quantum transition state wave packet approach

Surface Science

Volumn 547, Issue 1-2, 2003, Pages 149-156

  Nikitin, I ^a   Dong, W ^a   Busnengo, H F ^b,c   Salin, A ^d  

^a UNIVERSITÉ DE LYON   (France)

^b INSTITUTO DE FÍSICA ROSARIO   (Argentina)

^c UNIVERSIDAD NACIONAL DE ROSARIO   (Argentina)

^d UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

Computer simulations; Hydrogen atom; Palladium; Surface diffusion

Indexed keywords

ADSORPTION; COMPUTER SIMULATION; PALLADIUM; PHASE TRANSITIONS; POTENTIAL ENERGY; QUANTUM THEORY; SCANNING TUNNELING MICROSCOPY; SUBSTRATES;

QUANTUM TRANSITION STATE; WAVE PACKETS;

DIFFUSION;

EID: 0242493922     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2003.09.008     Document Type: Article

References (41)

1. Bond G.C. Catalysis by Metals. 1962;Academic, London, Madix R.J., Benziger J. Annu. Rev. Phys. Chem. 29:1978;285 Volkl J., Alefeld G. Alefeld G., Volkl J. Hydrogen in Metals. 1978;Springer, Berlin.
2. Bond G.C. Catalysis by Metals. 1962;Academic, London, Madix R.J., Benziger J. Annu. Rev. Phys. Chem. 29:1978;285 Volkl J., Alefeld G. Alefeld G., Volkl J. Hydrogen in Metals. 1978;Springer, Berlin.
3. Bond G.C. Catalysis by Metals. 1962;Academic, London, Madix R.J., Benziger J. Annu. Rev. Phys. Chem. 29:1978;285 Volkl J., Alefeld G. Alefeld G., Volkl J. Hydrogen in Metals. 1978;Springer, Berlin.
4. Gomer R. Field Emission and Field Ionization. 1961;Harvard University Press, Cambridge, USA.
5. Seebauer E.G., Schmidt L.D. Chem. Phys. Lett. 123(1-2):1986;129.
6. Mullins D.R., Roop B., Costello S.A., White J.M. Surf. Sci. 186:1987;67.
7. Binning G., Fuchs H., Stoll E. Surf. Sci. 169:1986;L295.
8. Frenken J.W.M., Hibch B.J. Hulpke E. Helium Atom Scattering from Surfaces. 1992;287 Springer, Berlin.
9. Zhu X.D., Lee A., Wong A., Linke U. Phys. Rev. Lett. 68:1992;1862 Cao G.X., Nabighian E., Zhu X.D. Phys. Rev. Lett. 79:1997;3696.
10. Zhu X.D., Lee A., Wong A., Linke U. Phys. Rev. Lett. 68:1992;1862 Cao G.X., Nabighian E., Zhu X.D. Phys. Rev. Lett. 79:1997;3696.
11. Lauhon L.J., Ho W. Phys. Rev. Lett. 85:2000;4566.
12. Kellogg G.L. Surf. Sci. Rep. 21:1994;1.
13. Barth J.V. Surf. Sci. Rep. 40:2000;75.
14. Mitsui T., Rose M.K., Fomin E., Ogletree D.F., Salmeron M. Nature. 422:2003;705.
15. Doll J.D., Voter A.F. Annu. Rev. Phys. Chem. 38:1987;413.
16. Nyman G., Yu H.-G. Rep. Prog. Phys. 63:2000;1001.
17. Glasston S., Laider K.J., Eyring H. The Theory of Rate Processes. 1941;McGraw-Hill, New York.
18. Keck J.C. Adv. Chem. Phys. 13:1967;85.
19. Pechukas P. Annu. Rev. Phys. Chem. 32:1981;159.
20. Truhlar D.G., Garret B.C. Annu. Rev. Phys. Chem. 35:1984;159.
21. Miller W.H. J. Chem. Phys. 61:1974;1823.
22. Miller W.H., Schwartz S.D., Tromp J.W. J. Chem. Phys. 79:1983;4889.
23. Gillan M.J. J. Phys. C. 20:1987;3621 Phys. Rev. Lett. 58:1987;563.
24. Gillan M.J. J. Phys. C. 20:1987;3621 Phys. Rev. Lett. 58:1987;563.
25. Voth G.A., Chandler D., Miller W.H. J. Chem. Phys. 91:1989;7749.
26. Mills G., Schenter G.K., Makarov D.E., Jonsson H. Chem. Phys. Lett. 278:1997;91.
27. Haug K., Wahnström G., Metiu H. J. Chem. Phys. 92:1990;2083.
28. Zhang D.H., Light J.C., Lee S.-Y. J. Chem. Phys. 111:1999;5741.
29. Wonchoba S.E., Hu W.-P., Truhlar D.G. Theoretical and Computational Approaches to Interfaces Phenomena. Sellers H.L., Golab J.T. 1994;Plenum, New York.
30. Mattson T., Engberg U., Wahnström G. Phys. Rev. Lett. 71:1993;2615.
31. Mattsson T.R., Wahnström G., Bengtsson L., Hammer B. Phys. Rev. B. 51:1995;1885.
32. Mattsson T.R., Wahnström G. Phys. Rev. B. 56:1997;15944.
33. Badescu S.C., Ying S.C., Ala-Nissila T. Phys. Rev. Lett. 86:2001;5092.
34. Rick S.W., Lynch D.L., Doll J.D. J. Chem. Phys. 99:1993;8183.
35. Daw M.S., Baskes M.I. Phys. Rev. B. 29:1984;6443.
36. Light J.C., Zhang D.H. Faraday Discuss. 110:1998;105.
37. Park T.J., Light J.C. J. Chem. Phys. 88:1988;4897.
38. Dong W., Hafner J. Phys. Rev. B. 56:1997;15396.
39. Busnengo H.F., Salin A., Dong W. J. Chem. Phys. 112:2000;7641.
40. Kua J., Lauhon L.J., Ho W., Goddard W.A. III J. Chem. Phys. 115:2001;5620.
41. Baer R., Zeiri Y., Kosloff R. Phys. Rev. B. 54:1996;R5287.