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The European Physical Journal D

, Volume 45, Issue 3, pp 471–476 | Cite as

Optical properties of small silver clusters supported at MgO

  • V. Bonačić-KouteckýEmail author
  • C. Bürgel
  • L. Kronik
  • A. E. Kuznetsov
  • R. Mitrić
Electronic and Optical Properties, Chemistry

Abstract.

We present structural and optical properties of silver clusters Agn (n=2, 4, 6, 8) at two model support sites of MgO, stoichiometric MgO(100) and FS-center defect, based on density functional theory and embedded cluster model. Our results provide the mechanism responsible for the absorption and emission patterns due to the specific interaction between the excitations within the cluster and the support site which is strongly cluster size and structure dependent. We propose Ag4 at stoichiometric site as well as Ag2, Ag4 and Ag6 at FS-center defects as good candidates for the emissive centers in the visible regime.

PACS.

31.15.Qg Molecular dynamics and other numerical methods 31.15.Ar Ab initio calculations 

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References

  1. L.A. Peyser, A.E. Vinson, A.P. Bartko, R.M. Dickson, Science 291, 103 (2001) CrossRefADSGoogle Scholar
  2. J. Zheng, R.M. Dickson, J. Am. Chem. Soc. 124, 13982 (2002) CrossRefGoogle Scholar
  3. J. Zheng, J.T. Petty, R.M. Dickson, J. Am. Chem. Soc. 125, 7780 (2003) CrossRefGoogle Scholar
  4. T.H. Lee, R.M. Dickson, PNAS 100, 3043 (2003) CrossRefADSGoogle Scholar
  5. T.H. Lee, R.M. Dickson, J. Phys. Chem. B 107, 7387 (2003) CrossRefGoogle Scholar
  6. T. Gleitsmann, B. Stegemann, T.M. Bernhardt, Appl. Phys. Lett. 84, 4050 (2004) CrossRefADSGoogle Scholar
  7. T.H. Lee, J.I. González, J. Zheng, R.M. Dickson, Acc. Chem. Res. 38, 534 (2005) CrossRefADSGoogle Scholar
  8. T. Gleitsmann, T.M. Bernhardt, L. Wöste, Appl. Phys. A 82, 125 (2006) CrossRefADSGoogle Scholar
  9. E. Katz, I. Willner, Angew. Chem., Int. Ed. 43, 6042 (2004) CrossRefGoogle Scholar
  10. L. Peyser-Capadona, J. Zheng, J.I. González, T.H. Lee, S.A. Patel, R.M. Dickson, Phys. Rev. Lett. 94, 058301 (2005) CrossRefADSGoogle Scholar
  11. L. König, I. Rabin, W. Schulze, G. Ertl, Science 274, 1353 (1996) CrossRefADSGoogle Scholar
  12. I. Rabin, W. Schulze, G. Ertl, J. Chem. Phys. 108, 5137 (1998) CrossRefADSGoogle Scholar
  13. I. Rabin, W. Schulze, G. Ertl, C. Félix, C. Sieber, W. Harbich, J. Buttet, Chem. Phys. Lett. 320, 59 (2000) CrossRefGoogle Scholar
  14. C. Félix, C. Sieber, W. Harbich, J. Buttet, I. Rabin, W. Schulze, G. Ertl, Phys. Rev. Lett. 86, 2992 (2001) CrossRefADSGoogle Scholar
  15. C. Sieber, J. Buttet, W. Harbich, C. Félix, R. Mitrić, V. Bonačić-Koutecký, Phys. Rev. A 70, 041201 (2004) CrossRefADSGoogle Scholar
  16. T. Diederich, J. Tiggesbäumker, K.H. Meiwes-Broer, J. Chem. Phys. 116, 3263 (2002) CrossRefADSGoogle Scholar
  17. V. Bonačić-Koutecký, J. Pittner, M. Boiron, P. Fantucci, J. Chem. Phys. 110, 3876 (1999) CrossRefADSGoogle Scholar
  18. V. Bonačić-Koutecký, V. Veyret, R. Mitrić, J. Chem. Phys. 115, 10450 (2001) CrossRefADSGoogle Scholar
  19. C. Bürgel, R. Mitrić, V. Bonačić-Koutecký, Appl. Phys. A 82, 117 (2006) CrossRefADSGoogle Scholar
  20. B. Yoon, H. Häkkinen, U. Landman, A.S. Wörz, J.M. Antonietti, S. Abbet, K. Judai, U. Heiz, Science 307, 403 (2005) CrossRefADSGoogle Scholar
  21. D. Ricci, C. Di Valentin, G. Pacchioni, P. Sushko, A. Shluger, E. Giamello, J. Am. Chem. Soc. 125, 738 (2003) CrossRefGoogle Scholar
  22. M. Chiesa, M. Paganini, E. Giamello, D. Murphy, C. DiValentin, G. Pacchioni, Acc. Chem. Res. 39, 861 (2006) CrossRefGoogle Scholar
  23. M. Sterrer, M. Heyde, M. Novicki, N. Nilius, T. Risse, H.P. Rust, G. Pacchioni, H.J. Freund, J. Phys. Chem. B 110, 46 (2006) CrossRefGoogle Scholar
  24. C. Inntam, L.V. Moskaleva, I.V. Yudanov, K.M. Neyman, N. Rösch, Chem. Phys. Lett. 417, 515 (2006) CrossRefGoogle Scholar
  25. C. Inntam, L.V. Moskaleva, K.M. Neyman, V.A. Nasluzov, N. Rösch, Appl. Phys. A 82, 181 (2006) CrossRefADSGoogle Scholar
  26. G. Barcaro, A. Fortunelli, J. Chem. Theory Comput. 1, 972 (2005) CrossRefGoogle Scholar
  27. L. Giordano, M. Baistrocchi, G. Pacchioni, Phys. Rev. B 72, 115403 (2005) CrossRefADSGoogle Scholar
  28. K.M. Neyman, C. Inntam, V.A. Nasluzov, R. Kosarev, N. Rösch, Appl. Phys. A 78, 823 (2004) CrossRefADSGoogle Scholar
  29. K.M. Neyman, C. Inntam, A.V. Matveev, V.A. Nasluzov, N. Rösch, J. Am. Chem. Soc. 127, 11652 (2005) CrossRefGoogle Scholar
  30. A. Bogicevic, D.R. Jennison, Surf. Sci. 515, L481 (2002) Google Scholar
  31. A.V. Matveev, K.M. Neyman, I.V. Chudanov, N. Rösch, Surf. Sci. 426, 123 (1999) CrossRefGoogle Scholar
  32. A.M. Ferrari, C. Xiao, K.M. Neyman, G. Pacchioni, N. Rösch, Phys. Chem. Chem. Phys. 1, 4655 (1999) CrossRefGoogle Scholar
  33. A.V. Matveev, K.M. Neyman, G. Pacchioni, N. Rösch, Chem. Phys. Lett. 299, 603 (1999) CrossRefGoogle Scholar
  34. I. Yudanov, G. Pacchioni, K.M. Neyman, N. Rösch, J. Phys. Chem. B 101, 2786 (1997) CrossRefGoogle Scholar
  35. A.M. Ferrari, G. Pacchioni, J. Phys. Chem. 100, 9032 (1996) CrossRefGoogle Scholar
  36. M. Walter, H. Häkkinen, Phys. Rev. B 72, 205440 (2005) CrossRefADSGoogle Scholar
  37. A. del Vitto, C. Sousa, F. Illas, G. Pacchioni, J. Chem. Phys. 121, 7457 (2004) CrossRefADSGoogle Scholar
  38. G. Pacchioni, P.S. Bagus, F. Parmigiani, Cluster Models for Surface and Bulk Phenomena, NATO ASI Series B (Plenum, New York, 1992), Vol. 283 Google Scholar
  39. M.A. Nygren, L.G.M. Pettersson, Z. Barandiarán, L. Sejio, J. Chem. Phys. 100, 2010 (1994) CrossRefADSGoogle Scholar
  40. N.W. Winter, R.M. Pitzer, J. Chem. Phys. 89, 446 (1988) CrossRefADSGoogle Scholar
  41. J.A. Mejías, A.M. Márquez, M. Fernández-Sanz, J.M. Ricart, C. Sousa, F. Illas, Surf. Sci. 327, 59 (1995) CrossRefGoogle Scholar
  42. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996) CrossRefADSGoogle Scholar
  43. D. Andrae, U. Haeussermann, M. Dolg, H. Stoll, H. Preuss, Theor. Chim. Acta 77, 123 (1990) CrossRefGoogle Scholar
  44. D. Peterka, C. Tegenkampf, K.M. Schröder, W. Ernst, H. Pfnür, Surf. Sci. 431, 146 (1999) CrossRefGoogle Scholar
  45. F. Illas, G. Pacchioni, J. Chem. Phys. 108, 7835 (1998) CrossRefADSGoogle Scholar

Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007

Authors and Affiliations

  • V. Bonačić-Koutecký
    • 1
    Email author
  • C. Bürgel
    • 1
  • L. Kronik
    • 2
  • A. E. Kuznetsov
    • 1
  • R. Mitrić
    • 1
  1. 1.Humboldt-Universität zu Berlin, Institut für ChemieBerlinGermany
  2. 2.Department of Materials and InterfacesWeizmann Institute of ScienceRehovotIsrael

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