Combined effect of molecular rotational and surface vibrational excitations on the dissociative adsorption dynamics of D2/Cu(111)

Surface Science

Volumn 363, Issue 1-3, 1996, Pages 52-61

  Diño, Wilson Agerico ^a   Kasai, Hideaki ^a   Okiji, Ayao ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Adsorption kinetics; Atom solid interactions, scattering, diffraction; Atomistic dynamics; Chemisorption; Computer simulations; Copper; Deuterium; Hydrogen; Low index single crystal surfaces; Metallic surfaces; Models of surface chemical reactions

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; CHEMICAL REACTIONS; COMPUTER SIMULATION; COPPER; DEGREES OF FREEDOM (MECHANICS); DEUTERIUM; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; QUANTUM THEORY; SURFACES;

ADSORPTION KINETICS; ATOMISTIC DYNAMICS; BORN OPPENHEIMER APPROXIMATION; COUPLED CHANNEL METHOD; LOW INDEX SINGLE CRYSTAL SURFACES; MODELS OF SURFACE CHEMICAL REACTIONS; MOLECULE SOLID REACTIONS; QUANTUM EFFECTS; QUANTUM MECHANICAL CALCULATIONS; STICKING;

ADSORPTION;

EID: 0030205843     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(96)00091-X     Document Type: Article

References (22)

1. C.T. Rettner, H.A. Michelsen and D.J. Auerbach, J. Chem. Phys. 102 (1995) 4625.
2. H.A. Michelsen and D.J. Auerbach, J. Chem. Phys. 94 (1991) 7502.
3. H.A. Michelsen, C.T. Rettner, D.J. Auerbach and R.N. Zare, J. Chem. Phys. 98 (1993) 8294.
4. J.-H. Rechtien, R. Harder, G. Herrmann and K.J. Snowdon, Surf. Sci. 272 (1992) 240.
5. C. Engdahl and B.I. Lundqvist, Chem. Phys. Lett. 215 (1993) 103.
6. G.R. Darling and S. Holloway, J. Chem. Phys. 101 (1994) 3268.
7. T. Brunner and W. Brenig, Surf. Sci. 317 (1994) 303.
8. W.A. Diño, H. Kasai and A. Okiji, J. Phys. Soc. Jpn. 64 (1995) 2478.
9. H.A. Michelsen, C.T. Rettner and D.J. Auerbach, Surf. Sci. 272 (1992) 65.
10. H. Kasai and A. Okiji, Prog. Surf. Sci. 44 (1993) 101.
11. W. Brenig, T. Brunner, A. Groß and R. Russ, Z. Phys. B 93 (1993) 91.
12. B. Hammer, M. Scheffler, K.W. Jacobsen and J.K. Nørskov, Phys. Rev. Lett. 73 (1994) 1400.
13. J.A. White, D.M. Bird, M.C. Payne and I. Stich, Phys. Rev. Lett. 73 (1994) 1404.
14. M.R. Hand and J. Harris, J. Chem. Phys. 92 (1990) 7610.
15. A. Gross, Surf. Sci. 314 (1994) L843; Surf. Sci. 320 (1994) L68.
16. A. Gross, Surf. Sci. 314 (1994) L843; Surf. Sci. 320 (1994) L68.
17. G.R. Darling and S. Holloway, Surf. Sci. 321 (1994) L189.
18. W. Brenig, H. Kasai and H. Müller, Surf. Sci. 161 (1985) 608.
19. J. Harris, J. Simon, A.C. Luntz, C.B. Mullins and C.T. Rettner, Phys. Rev. Lett. 67 (1991) 652.
20. A.C. Luntz and J. Harris, Surf. Sci. 258 (1991) 397.
21. G.R. Darling and S. Holloway, Surf. Sci. 304 (1994) L461.
22. A. Gross, B. Hammer, M. Scheffler and W. Brenig, Phys. Rev. Lett. 73 (1994) 3121.