Abstract

We discuss a number of complete surface reaction systems and show the benefits of using kinetic Monte Carlo simulations for modeling them. The following topics will be discussed: lateral interactions and the link with the occupation of unfavorable sites and the suppression of processes, the effect of the structure of the substrate on kinetics, the role of equilibrium and non-equilibrium phase transitions and symmetry breaking, and non-linear kinetics.

Keywords

Adsorption Energy Lateral Interaction Step Edge Hollow Site Effective Rate Constant 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

References

  1. 1.
    C.G.M. Hermse, A.P.J. Jansen, in Catalysis, vol. 19, ed. by J.J. Spivey, K.M. Dooley (Royal Society of Chemistry, London, 2006) Google Scholar
  2. 2.
    A.P.J. Jansen, Phys. Rev. B 69, 035414 (2004) ADSCrossRefGoogle Scholar
  3. 3.
    A.P.J. Jansen, C. Popa, Phys. Rev. B 78, 085404 (2008) ADSCrossRefGoogle Scholar
  4. 4.
    R.J. Baxter, Exactly Solved Models in Statistical Mechanics (Academic Press, London, 1982) MATHGoogle Scholar
  5. 5.
    H.J. Borg, J.F.C.J.M. Reijerse, R.A. van Santen, J.W. Niemantsverdriet, J. Chem. Phys. 101, 10052 (1994) ADSCrossRefGoogle Scholar
  6. 6.
    R.M. van Hardeveld, M.J.P. Hopstaken, J.J. Lukkien, P.A.J. Hilbers, A.P.J. Jansen, R.A. van Santen, J.W. Niemantsverdriet, Chem. Phys. Lett. 302, 98 (1999) CrossRefGoogle Scholar
  7. 7.
    D. Loffreda, D. Simon, P. Sautet, J. Chem. Phys. 108, 6447 (1998) ADSCrossRefGoogle Scholar
  8. 8.
    D. Loffreda, D. Simon, P. Sautet, J. Catal. 213, 211 (2003) CrossRefGoogle Scholar
  9. 9.
    C.G.M. Hermse, F. Frechard, A.P. van Bavel, J.J. Lukkien, J.W. Niemantsverdriet, R.A. van Santen, A.P.J. Jansen, J. Chem. Phys. 118, 7081 (2003) ADSCrossRefGoogle Scholar
  10. 10.
    A.P.J. Jansen, C.G.M. Hermse, F. Fréchard, J.J. Lukkien, in Computational Science—ICCS 2001, ed. by V. Alexandrov, J. Dongarra, B. Juliano, R. Renner, C. Tan (Springer, Berlin, 2001), pp. 531–540 CrossRefGoogle Scholar
  11. 11.
    C.T. Kao, G.S. Blackman, M.A.V. Hove, G.A. Somorjai, C.M. Chan, Surf. Sci. 224, 77 (1989) ADSCrossRefGoogle Scholar
  12. 12.
    I. Zasada, M.A.V. Hove, G.A. Somorjai, Surf. Sci. 418, L89 (1998) CrossRefGoogle Scholar
  13. 13.
    K.B. Rider, K.S. Hwang, M. Salmeron, G.A. Somorjai, Phys. Rev. Lett. 86, 4330 (2001) ADSCrossRefGoogle Scholar
  14. 14.
    M.T.M. Koper, J.J. Lukkien, A.P.J. Jansen, R.A. van Santen, J. Phys. Chem. B 103, 5522 (1999) CrossRefGoogle Scholar
  15. 15.
    M. Flytzani-Stephanopoulos, L.D. Schmidt, Prog. Surf. Sci. 9, 83 (1979) ADSCrossRefGoogle Scholar
  16. 16.
    T.C. Wei, J. Phillips, Adv. Catal. 41, 359 (1996) CrossRefGoogle Scholar
  17. 17.
    D.W. Blakely, G.A. Somorjai, Surf. Sci. 65, 419 (1977) ADSCrossRefGoogle Scholar
  18. 18.
    X.Q. Zhang, W.K. Offermans, R.A. van Santen, A.P.J. Jansen, A. Scheibe, U. Lins, R. Imbihl, Phys. Rev. B 82, 113401 (2010) ADSCrossRefGoogle Scholar
  19. 19.
    E. Shustorovich, Surf. Sci. Rep. 6, 1 (1986) ADSCrossRefGoogle Scholar
  20. 20.
    W.K. Offermans, A.P.J. Jansen, R.A. van Santen, G. Novell-Leruth, J.M. Ricart, J. Pérez-Ramirez, J. Phys. Chem. C 111, 17551 (2007) CrossRefGoogle Scholar
  21. 21.
    S. Wiggins, Introduction to Applied Nonlinear Dynamical Systems and Chaos (Springer, New York, 1990) MATHCrossRefGoogle Scholar
  22. 22.
    J.K. Hale, H. Koçak, Dynamics and Bifurcations (Springer, New York, 1991) MATHCrossRefGoogle Scholar
  23. 23.
    M.M. Slin’ko, N.I. Jaeger, Oscillating Heterogeneous Catalytic Systems. Studies in Surface Science and Catalysis, vol. 86 (Elsevier, Amsterdam, 1994) Google Scholar
  24. 24.
    R. Imbihl, G. Ertl, Chem. Rev. 95, 697 (1995) CrossRefGoogle Scholar
  25. 25.
    Q. Ge, R. Kose, D.A. King, Adv. Catal. 45, 207 (2000) CrossRefGoogle Scholar
  26. 26.
    M.T.M. Koper, J. Electroanal. Chem. 450, 189 (1998) CrossRefGoogle Scholar
  27. 27.
    M.T.M. Koper, A.P.J. Jansen, J.J. Lukkien, Electrochim. Acta 45, 645 (1999) CrossRefGoogle Scholar
  28. 28.
    J. Clavilier, in Interfacial Electrochemistry, Theory, Experiment and Applications, ed. by A. Wieckowski (Dekker, New York, 1999), pp. 231–248 Google Scholar
  29. 29.
    B.M. Ocko, J.X. Wang, T. Wandlowski, Phys. Rev. Lett. 79, 1511 (1997) ADSCrossRefGoogle Scholar
  30. 30.
    A.M. Funtikov, U. Stimming, R. Vogel, J. Electroanal. Chem. 428, 147 (1997) CrossRefGoogle Scholar
  31. 31.
    C.G.M. Hermse, A.P. van Bavel, M.T.M. Koper, J.J. Lukkien, R.A. van Santen, A.P.J. Jansen, Surf. Sci. 572, 247 (2004) ADSCrossRefGoogle Scholar
  32. 32.
    J.M. Orts, L. Blum, D. Huckaby, J.M. Feliu, A. Aldaz, Abstr. Pap. Am. Chem. Soc. 220, 91 (2000) Google Scholar
  33. 33.
    R.M. Ziff, E. Gulari, Y. Barshad, Phys. Rev. Lett. 56, 2553 (1986) ADSCrossRefGoogle Scholar
  34. 34.
    H.P. Kaukonen, R.M. Nieminen, J. Chem. Phys. 91, 4380 (1989) ADSCrossRefGoogle Scholar
  35. 35.
    J.P. Hovi, J. Vaari, H.P. Kaukonen, R.M. Nieminen, Comput. Mater. Sci. 1, 33 (1992) CrossRefGoogle Scholar
  36. 36.
    J. Mai, A. Casties, W. von Niessen, V.N. Kuzovkov, J. Chem. Phys. 102, 5037 (1995) ADSCrossRefGoogle Scholar
  37. 37.
    R.J. Gelten, A.P.J. Jansen, R.A. van Santen, J.J. Lukkien, J.P.L. Segers, P.A.J. Hilbers, J. Chem. Phys. 108, 5921 (1998) ADSCrossRefGoogle Scholar
  38. 38.
    V.N. Kuzovkov, O. Kortlüke, W. von Niessen, Phys. Rev. Lett. 83, 1636 (1999) ADSCrossRefGoogle Scholar
  39. 39.
    O. Kortlüke, V.N. Kuzovkov, W. von Niessen, Phys. Rev. Lett. 83, 3089 (1999) ADSCrossRefGoogle Scholar
  40. 40.
    V.N. Kuzovkov, O. Kortlüke, W. von Niessen, Phys. Rev. E 66, 011603 (2002) ADSCrossRefGoogle Scholar
  41. 41.
    R.J. Gelten, R.A. van Santen, A.P.J. Jansen, in Molecular Dynamics: From Classical to Quantum Methods, ed. by P.B. Balbuena, J.M. Seminario (Elsevier, Amsterdam, 1999), pp. 737–784 CrossRefGoogle Scholar
  42. 42.
    O. Kortlüke, V.N. Kuzovkov, W. von Niessen, Phys. Rev. Lett. 81, 2164 (1998) ADSCrossRefGoogle Scholar
  43. 43.
    V.N. Kuzovkov, O. Kortlüke, W. von Niessen, J. Chem. Phys. 108, 5571 (1998) ADSCrossRefGoogle Scholar
  44. 44.
    O. Kortlüke, V.N. Kuzovkov, W. von Niessen, J. Chem. Phys. 110, 11523 (1999) ADSCrossRefGoogle Scholar
  45. 45.
    A.P.J. Jansen, R.M. Nieminen, J. Chem. Phys. 106, 2038 (1997) ADSCrossRefGoogle Scholar
  46. 46.
    A.P.J. Jansen, J. Mol. Catal. A, Chem. 119, 125 (1997) CrossRefGoogle Scholar
  47. 47.
    R.M. Ziff, B.J. Brosilow, Phys. Rev. A 46, 4630 (1992) ADSCrossRefGoogle Scholar
  48. 48.
    B.J. Brosilow, E. Gulari, R.M. Ziff, J. Chem. Phys. 98, 674 (1993) ADSCrossRefGoogle Scholar
  49. 49.
    I. Jensen, H. Fogedby, R. Dickman, Phys. Rev. A 41, 3411 (1990) ADSCrossRefGoogle Scholar
  50. 50.
    P. Grindrod, The Theory and Applications of Reaction-Diffusion Equations: Patterns and Waves (Clarendon, Oxford, 1996) MATHGoogle Scholar
  51. 51.
    R. Salazar, A.P.J. Jansen, V.N. Kuzovkov, Phys. Rev. E 69, 031604 (2004) ADSCrossRefGoogle Scholar
  52. 52.
    J.P. Hovi, A.P.J. Jansen, R.M. Nieminen, Phys. Rev. E 55, 4170 (1997) ADSCrossRefGoogle Scholar
  53. 53.
    J. Mai, V.N. Kuzovkov, W. von Niessen, A Lotka type model for oscillations in surface reactions (1995). Private communication Google Scholar
  54. 54.
    J. Mai, V.N. Kuzovkov, W. von Niessen, Oscillations beyond the mean-field description: The Lotka model (1995). Private communication Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 2012

Authors and Affiliations

  1. 1.ST/SKAEindhoven University of TechnologyEindhovenNetherlands

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