The dynamics of H absorption in and adsorption on Cu(111)

Surface Science

Volumn 397, Issue 1-3, 1998, Pages 382-394

  Stromquist J ^a   Bengtsson, L ^a   Persson, M ^a   Hammer, B ^b  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^b TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

Adsorption kinetics; Atomistic dynamics; Chemisorption; Copper; Density functional calculations; Hydrogen; Sticking

Indexed keywords

APPROXIMATION THEORY; CHEMISORPTION; COMPUTATIONAL METHODS; GAS ABSORPTION; GAS ADSORPTION; HYDROGEN; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PHONONS; REACTION KINETICS; RELAXATION PROCESSES;

DENSITY FUNCTIONAL THEORY (DFT); POTENTIAL ENERGY CURVES; SEMI EMPIRICAL EFFECTIVE MEDIUM THEORY;

COPPER;

EID: 0031990421     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00759-0     Document Type: Article

References (34)

1. G.R. Darling, S. Holloway, Rep. Prog. Phys. 58 (1995) 1595.
2. C.T. Rettner, D.J. Auerbach, J. Chem. Phys. 104 (1996) 2732.
3. B. Jackson, M. Persson, in: A. Okiji, K. Makoshi, H. Kasai (Eds.), Elementary Processes in Excitations and Reactions on Solid Surfaces, Vol. 21, Springer Series in Solid-State Sciences, Springer, Berlin, 1996, p. 26.
4. P. Kratzer, W. Brenig, Surf. Sci. 254 (1991) 275.
5. B. Jackson, M. Persson. J. Chem. Phys. 96 (1992) 2378.
6. M. Persson, B. Jackson, J. Chem. Phys. 102 (1995) 1078.
7. M. Persson, B. Jackson, Chem. Phys. Lett. 237 (1995) 468.
8. K.J. Maynard, A.D. Johnson, S.P. Daley, S.T. Ceyer, Faraday Discuss. Chem. Soc. 91 (1991) 437.
9. C.T. Rettner, D.J. Auerbach, J. Lee, J. Chem. Phys. 105 (1996) 10115.
10. M.C. Payne, H.P. Teter, D.C. Allan, T.A. Arias, J.D. Joannapoulos, Rev. Mod. Phys. 64 (1992) 1045.
11. L. Bengtsson, submitted to J. Phys.: Condens. Matter.
12. N. Troullier, J.L. Martins, Phys. Rev. B 43 (1991) 1993.
13. B. Hammer, M. Scheffler, K. Jacobsen, J.K. Noørskov, Phys. Rev. Lett. 73 (1994) 1400.
14. J.P. Perdew et al., Phys. Rev. B 46 (1992) 6671.
15. M. Gillan, J. Phys.: Cond. Matter 1 (1989) 689.
16. A. Gross, B. Hammer. M. Scheffler, W. Brenig, Phys. Rev. Lett. 73 (1994) 3121.
17. K.W. Jacobsen, P. Stoltze, J.K. Nørskov, Surf. Sci. 366 (1996) 394.
18. P. Stoltze, Simulation Methods in Atomic-Scale Materials Physics, Polyteknisk Forlag. Lyngby, 1997.
19. B. Chakraborty, S. Holloway, J.K. Nørskov, Surf. Sci. 152-153 (1985) 660.
20. K.W. Jacobsen, J.K. Nørskov, Phys. Rev. Lett. 59 (1987) 2764.
21. G. Lee, D. Poker, D. Zehner, E. Plummer, Surf. Sci. 357-358 (1996) 717.
22. C.S. Alexander, J. Pritchard, J. Chem. Soc. Faraday. Trans, 1: 68 (1972) 202.
23. C.L. Lamont, B.N.J. Persson, G.P. Williams, Chem. Phys. Lett. 243 (1995) 429.
24. G.R. Mattsson, G. Wahnström, L. Bengtsson, B. Hammer, Phys. Rev. B 56 (1997) 2258.
25. K.P. Huber, G. Herzberg, Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules, Van Nonstrand and Reinhold, London, 1979.
26. D.R. Lich, Handbook of Chemistry and Physics, 76th edition, CRC Press, London, 1995.
27. A.D. Johnson, K.J. Maynard, S.P. Daley, Q.Y. Yang, S.T. Ceyer, Phys. Rev. Lett. 67 (1991) 927.
28. P.J. Feibelmann, D.R. Hamann, J. Vac. Sci. Technol. A: 5 (1987) 424.
29. K. Gundersen, B. Hammer, K.W. Jacobsen, J.K. Nørskov, J.S. Lin, V. Hilman, Surf. Sci. 285 (1993) 27.
30. A. Forni, G. Wiesenekker, E.J. Baerends, G.F. Tantardini, J. Phys.: Condens. Matter 7 (1995) 7195.
31. C. Engdahl, G. Wahnström, Surf. Sci. 312 (1994) 429.
32. G. Wahnström, A.B. Lee, J. Strömquist, J. Chem. Phys. 105 (1996) 326.
33. J. Harris, B. Kasemo, Surf. Sci. 105 (1981) L281.
34. U. Bischler, P. Sandl, E. Bertel, T. Brunner, W. Brenig, Phys. Rev. Lett. 70 (1993) 3603.