Metal Cluster — Surface Interaction: Simple Models and Ab Initio Calculations

  • Hannu Häkkinen
  • Matti Manninen
Part of the Springer Series in Cluster Physics book series (CLUSTER)

Abstract

We review recent ab initio atomistic calculations on interactions between metal clusters and electronically inert (insulating) substrates. The model system is sodium clusters on the sodium-chloride (001) surface. This system provides an example of weak cluster-support interaction (physisorption) which can however be easily modified by introducing color centers at the surface, resulting in chemisorption of sodium adatom or cluster. The results obtained from atomistic calculations can be used for constructing simple jellium-type models for the adsorbed cluster. These models allow for systematic investigations in a large size-range of clusters on the shell structure, dimensionality, and stability of the cluster as a function of the strength of the cluster-support interaction.

Keywords

Valence Electron Metal Cluster Atomistic Calculation Jellium Model Free Cluster 
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.

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References

  1. 1.
    B. R. Rowe, D. W. Fahey, F. C. Fehsenfeld, and D. L. Albritton, J. Chem. Phys. 73, 194 (1980).ADSCrossRefGoogle Scholar
  2. 2.
    D. F. Hagen, Analyt Chem. 51, 870 (1979).CrossRefGoogle Scholar
  3. 3.
    G. von Helden, M.-T. Hsu, P. R. Kemper, and M. T. Bowers, J. Chem. Phys. 93, 3835 (1991).CrossRefGoogle Scholar
  4. 4.
    G. von Helden, M.-T. Hsu, N. Gotts, and M. T. Bowers, J. Phys. Chem. 97, 8182 (1993).CrossRefGoogle Scholar
  5. 5.
    K. B. Shelimov, J. M. Hunter, and M. F. Jarrold, Int. J. Mass Spectrom. Ion Proc. 138, 17(1994).CrossRefGoogle Scholar
  6. 6.
    J. M. Hunter and M. F. Jarrold, J. Am. Chem. Soc. 117, 103 (1995).Google Scholar
  7. 7.
    M.F. Jarrold and V.A. Constant, Phys. Rev. Lett. 67, 2994(1992).Google Scholar
  8. 8.
    J. M. Hunter, J. L. Fye, M. F. Jarrold, and J. E. Bower, Phys. Rev. Lett. 73, 2063 (1994).ADSCrossRefGoogle Scholar
  9. 9.
    M. F. Jarrold and J. E. Bower, J. Chem. Phys. 98, 2399 (1993).ADSCrossRefGoogle Scholar
  10. 10.
    D. E. Clemmer, J. M. Hunter, K. B. Shelimov, and M. F. Jarrold, Nature 372, 248 (1994).ADSCrossRefGoogle Scholar
  11. 11.
    M. F. Jarrold and E. C. Honea, J. Am. Chem. Soc. 114, 459 (1992).CrossRefGoogle Scholar
  12. 12.
    J. M. Hunter, J. L. Fye, and M. F. Jarrold, Science 260, 784 (1993).ADSCrossRefGoogle Scholar
  13. 13.
    G. von Helden, N. G. Gotts, and M. T. Bowers, Nature 363, 60 (1993).ADSCrossRefGoogle Scholar
  14. 14.
    E. A. Mason and E. W. McDaniel, Transport Properties of Ions in Gases (Wiley; New York, 1988).Google Scholar
  15. 15.
    J. O. Hirschfelder, C. F. Curtiss, and R. B. Bird, Molecular Theory of Gases and Liquids (Wiley; New York, 1954).Google Scholar
  16. 16.
    E. Mack, J. Amer. Chem. Soc. 47, 2468 (1925).CrossRefGoogle Scholar
  17. 17.
    S. N. Lin, G. W. Griffin, E. C. Horning, and W. E. Wentworth, J. Chem. Phys. 60, 4994 (1974).ADSCrossRefGoogle Scholar
  18. 18.
    G. von Helden, N. G. Gotts, P. Maitre, and M. T. Bowers, Chem. Phys. Lett. 227, 601 (1994).ADSCrossRefGoogle Scholar
  19. 19.
    S. Lee, T. Wyttenbach, and M. T. Bowers, J. Am. Chem. Soc. 117, 10159 (1995).CrossRefGoogle Scholar
  20. 20.
    L. D. Book, C. Xu, and G. E. Scuseria, Chem. Phys. Lett. 222, 281 (1994).ADSCrossRefGoogle Scholar
  21. 21.
    A. A. Shvartsburg and M. F. Jarrold, Chem. Phys. Lett. 261, 86 (1996).ADSCrossRefGoogle Scholar
  22. 22.
    G. von Helden, T. Wyttenbach, and M. T. Bowers, Int. J. Mass Spectrom. Ion Proc. 146/147, 349(1995).ADSCrossRefGoogle Scholar
  23. 23.
    M. F. Mesleh, J. M. Hunter, A, A. Shvartsburg, G. C. Schatz, and M. F. Jarrold, J. Phys. Chem. 100, 16082 (1996).CrossRefGoogle Scholar
  24. 24.
    J. P. Doye and D. J. Wales, Chem. Phys. Lett. 262, 167 (1996).ADSCrossRefGoogle Scholar
  25. 25.
    A. A. Shvartsburg, R, R. Hudgins, Ph. Dugourd, and M. F. Jarrold, J. Phys. Chem. A 101, 1684 (1997).CrossRefGoogle Scholar
  26. 26.
    D. L. Strout, R. L. Murry, C. Xu, W. C. Eckhoff, G. K. Odom, and G. E. Scuseria, Chem. Phys. Lett. 214, 576 (1993).ADSCrossRefGoogle Scholar
  27. 27.
    G. E. Scuseria, Chem. Phys. Lett. 257, 583 (1996); and references therein.ADSCrossRefGoogle Scholar
  28. 28.
    M. F. Mesleh, G. C. Schatz, and M. F. Jarrold, (unpublished).Google Scholar
  29. 29.
    H. E. Revercomb and E. A. Mason, Analyt. Chem., 47, 970 (1975).CrossRefGoogle Scholar
  30. 30.
    Y. Kaneko, M. R. Megill, and J. B. Hasted, J. Chem. Phys., 45, 3741 (1966).ADSCrossRefGoogle Scholar
  31. 31.
    Ph. Dugourd, R. R. Hudgins, D. E. Gemmer, and M. F. Jarrold, Rev. Sci. Instrum. 68, 1122(1997).CrossRefGoogle Scholar
  32. 32.
    G. von Helden, P. R. Kemper, N. Gotts, and M. T. Bowers, Science, 259, 1300 (1993); N. G. Gotts, G. von Helden, and M. T. Bowers, Int. J. Mass Spectrom. IonProc. 149/150, 217 (1995).ADSCrossRefGoogle Scholar
  33. 33.
    D. L. Strout, L. D. Book, J. M. Millam, C. Xu, and G. E. Scuseria, J. Chem. Phys. 98, 8622(1994).Google Scholar
  34. 34.
    M. F. Jarrold and J. E, Bower, J.Chem. Phys. 96, 9180 (1992).ADSCrossRefGoogle Scholar
  35. 35.
    K. D. Rinnen and M. L. Mandich, Phys. Rev. Lett. 69, 1823 (1992).ADSCrossRefGoogle Scholar
  36. 36.
    G. Gantefor, (private communication).Google Scholar
  37. 37.
    J. E. Campana, T. M. Barlak, R. J. Colton, J. J. Decorpo, J. R. Wyatt, and B. I. Dunlap, Phys. Rev. Lett. 47, 1046 (1981).ADSCrossRefGoogle Scholar
  38. 38.
    R. Pflaum, P. Pfau, K. Sattler, and E. Recknagel, Surf. Sci. 156, 165 (1985); R. Pflaum, K.Sattler, and E. Recknagel, Chem. Phys. Lett. 138, 8 (1987)}.ADSCrossRefGoogle Scholar
  39. 39.
    E.C. Honea, M.L. Homer, P. Labastie, and R.L. Whetten, Phys. Rev. Lett. 63, 394 (1989).ADSCrossRefGoogle Scholar
  40. 40.
    Y. J. Twu, C. W. S. Conover, Y. A. Yang and L. A. Bloomfield, Phys. Rev. B 42, 5306 (1990).ADSGoogle Scholar
  41. 41.
    P. Labastie, J.M. L’Hermite, Ph. Poncharal, and M. Sence, J. Chem. Phys. 103, 6362 (1995).ADSCrossRefGoogle Scholar
  42. 42.
    R.L. Whetten, Acc. Chem. Res. 26, 49 (1993).CrossRefGoogle Scholar
  43. 43.
    J. Luo, U. Landman, and J. Jortner, in Physics and Chemistry of Small Clusters, P. Jena, B. K. Rao, and S. N. Kanna, Eds. (Plenum, New York, 1987) p201.Google Scholar
  44. 44.
    D. O. Welch, O. W. Lazereth, G. J. Dienes, and R. D. Hatcher, J. Chem. Phys. 68, 2159 (1978).ADSCrossRefGoogle Scholar
  45. 45.
    Ph. Dugourd, R. R. Hudgins, and M. F. Jarrold, Chem. Phys. Lett. 267, 186 (1997).ADSCrossRefGoogle Scholar
  46. 46.
    J. Diefenbach and T. P. Martin, J. Chem. Phys. 83, 4585 (1985).ADSCrossRefGoogle Scholar
  47. 47.
    N. G. Phillips, C. W. S. Conover, and L. A. Bloomfield, J. Chem. Phys. 94, 4980 (1991).ADSCrossRefGoogle Scholar
  48. 48.
    D. O. Welch, O, W. Lazareth, G. J. Dienes, and R. D. Hatcher, J. Chem. Phys. 64, 835 (1975).ADSCrossRefGoogle Scholar
  49. 49.
    M. F. Jarrold, J. Phys. Chem. 99, 11 (1995).CrossRefGoogle Scholar
  50. 50.
    J.M. Hunter, J.L. Fye, E.J. Roskamp, and M.F. Jarrold, J. Phys. Chem. 98, 1810 (1994).CrossRefGoogle Scholar
  51. 51.
    T.P. Martin, J. Chem. Phys. 72, 3506 (1980).ADSCrossRefGoogle Scholar
  52. 52.
    A. Heidenreich, J. Jortner, and I. Oref, J. Chem. Phys. 97, 197 (1992).ADSCrossRefGoogle Scholar
  53. 53.
    U. Landman, D. Scharf, and J. Jortner, Phys. Rev. Lett. 54, 1860 (1985).ADSCrossRefGoogle Scholar
  54. 54.
    D. Scharf, J. Jortner, and U. Landman, J. Chem. Phys. 87, 2716 (1987).ADSCrossRefGoogle Scholar
  55. 55.
    J.P. Rose and R.S. Berry, J. Chem. Phys. 96, 517 (1992).ADSCrossRefGoogle Scholar
  56. 56.
    V.K.W. Cheng, J.P. Rose, and R.S. Berry, Z. Phys. D 26, 195 (1993).ADSCrossRefGoogle Scholar
  57. 57.
    H.W. Etzel and R.J. Maurer, J. Chem. Phys. 18, 1003 (1950).ADSCrossRefGoogle Scholar
  58. 58.
    V. K. W. Cheng, B. A. W. Coller, and E. R. Smith, J. Chem. Soc. Faraday Trans. I 84, 899(1988).Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1999

Authors and Affiliations

  • Hannu Häkkinen
    • 1
  • Matti Manninen
    • 1
  1. 1.Department of PhysicsUniversity of JyväskyläJyväskyläFinland

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