Palladium island growth on Ni(111) stochastic classical trajectory - Ghost atom calculations

Surface Science

Volumn 360, Issue 1-3, 1996, Pages 43-49

  Brault, Pascal ^a   De Almeida, Joaquim ^a  

^a UNIVERSITÉ D'ORLÉANS   (France)

Author keywords

Adatoms; Adsorption kinetics; Atom solid interactions; Atomistic dynamics; Catalysis; Clusters; Computer simulations; Construction and use of effective interatomic interactions; Diffraction; Epitaxy; Growth; Low index single crystal surfaces; Scattering

Indexed keywords

ADSORPTION; CATALYSIS; COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; DEPOSITION; MOLECULAR DYNAMICS; NICKEL; PHASE INTERFACES; RANDOM PROCESSES; REACTION KINETICS; SINGLE CRYSTALS; SURFACES;

ADATOMS; ATOMISTIC DYNAMICS; CLUSTERS; GHOST ATOM CALCULATIONS; INTERATOMIC INTERACTIONS; ISLAND GROWTH; LOW INDEX SINGLE CRYSTAL SURFACES; STOCHASTIC CLASSICAL TRAJECTORY; SURFACE KINETICS;

PALLADIUM;

EID: 0030192361     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(96)00644-9     Document Type: Article

References (23)

1. J.H. Sinfelt, Bimetallic Catalysts (Wiley, New York, 1983)
2. P. Hermann, B. Tardy, D. Simon, J.M. Guigner, B. Bigot and J.C. Bertolini, Surf. Sci. 307/309 (1994) 422.
3. J.C. Bertolini, P. Miegge, P. Hermann, J.L. Rousset and B. Tardy, Surf. Sci. 331/333 (1995) 651.
4. U. Schneider, H. Busse, R. Linke, G.R. Castro and K. Wandelt, J. Vac. Sci. Technol. A 12 (1994) 2069.
5. J.H. Sinfelt, J.L. Carter and J.C. Yates, J. Catal. 24 (1972) 283.
6. J.A. Rodriguez and D.W. Goodman, J. Phys. Chem. 95 (1991) 4196.
7. P. Hermann, D. Simon and B. Bigot, Surf. Sci. (1995) to be published.
8. J.C. Tully, G.H. Gilmer and M. Shugard, J. Chem. Phys.71 (1979) 1630.
9. S.A. Adelman and J.D. Doll, J. Chem. Phys. 64 (1976) 2375; J.F. Adams and J.D. Doll, Surf. Sci. 103 (1981) 472; for the original works on Langevin dynamics applied to atom-surface scattering.
10. S.A. Adelman and J.D. Doll, J. Chem. Phys. 64 (1976) 2375; J.F. Adams and J.D. Doll, Surf. Sci. 103 (1981) 472; for the original works on Langevin dynamics applied to atom-surface scattering.
11. J.C. Tully, J. Chem. Phys, 73 (1980) 1975; A.E. DePristo, Surf. Sci. 141 (1984) 40; A.E. DePristo and A. Kara, Adv. Chem. Phys. 77 (1990) 163.
12. J.C. Tully, J. Chem. Phys, 73 (1980) 1975; A.E. DePristo, Surf. Sci. 141 (1984) 40; A.E. DePristo and A. Kara, Adv. Chem. Phys. 77 (1990) 163.
13. J.C. Tully, J. Chem. Phys, 73 (1980) 1975; A.E. DePristo, Surf. Sci. 141 (1984) 40; A.E. DePristo and A. Kara, Adv. Chem. Phys. 77 (1990) 163.
14. More recently a very refined numerical code has become available: D.E. Sanders, M.S. Stave, L. Perkins and A.E. DePristo, Comp. Phys. Comm. 70 (1992) 579. It nevertheless remains time consuming. See also: M.S. Stave, D.E. Sanders, T.J. Raeker and A.E. DePristo, J. Chem. Phys. 93 (1990) 4413; D.E. Sanders and A.E. DePristo, Surf. Sci. 254 (1991) 341. These works used the Corrected Effective Medium theory in conjunction with Molecular Dynamics and Monte-Carlo simulations. These are the most complete calculations today for treating small adsorbate systems.
15. More recently a very refined numerical code has become available: D.E. Sanders, M.S. Stave, L. Perkins and A.E. DePristo, Comp. Phys. Comm. 70 (1992) 579. It nevertheless remains time consuming. See also: M.S. Stave, D.E. Sanders, T.J. Raeker and A.E. DePristo, J. Chem. Phys. 93 (1990) 4413; D.E. Sanders and A.E. DePristo, Surf. Sci. 254 (1991) 341. These works used the Corrected Effective Medium theory in conjunction with Molecular Dynamics and Monte-Carlo simulations. These are the most complete calculations today for treating small adsorbate systems.
16. More recently a very refined numerical code has become available: D.E. Sanders, M.S. Stave, L. Perkins and A.E. DePristo, Comp. Phys. Comm. 70 (1992) 579. It nevertheless remains time consuming. See also: M.S. Stave, D.E. Sanders, T.J. Raeker and A.E. DePristo, J. Chem. Phys. 93 (1990) 4413; D.E. Sanders and A.E. DePristo, Surf. Sci. 254 (1991) 341. These works used the Corrected Effective Medium theory in conjunction with Molecular Dynamics and Monte-Carlo simulations. These are the most complete calculations today for treating small adsorbate systems.
17. V.P. Zhdanov, Elementary Physicochemical Processes on Solid Surfaces (Springer, Berlin, 1993).
18. B.J. Garrison and S.A. Adelman, Surf. Sci. 66 (1977) 253.
19. P.G. Flahive and W.R. Graham, Surf. Sci. 91 (1980) 449.
20. J.W. Evans, D.E. Sanders, P.A. Thiel and A.E. DePristo, Phys. Rev. B 41 (1990) 5410; J.W. Evans, Vacuum 41 (1990) 479.
21. J.W. Evans, D.E. Sanders, P.A. Thiel and A.E. DePristo, Phys. Rev. B 41 (1990) 5410; J.W. Evans, Vacuum 41 (1990) 479.
22. T. Halicioglu and G.M. Pound, Phys. Status Solidi (a) 30 (1975) 619.
23. S.J. Lombardo and A.T. Bell, Surf. Sci. Rep. 13 (1991) 1.