Skip to main content
SpringerLink
Log in

Influence of the environment on equilibrium properties of Au-Pd clusters

  • Clusters and Nanostructures
  • Regular Article
  • Published:
The European Physical Journal D Aims and scope Submit manuscript

Abstract.

The question of the influence of the environment on the structure and thermodynamic state of a bimetallic cluster is examined, using Metropolis Monte Carlo methods. An embedded atom model is used to estimate metal energies. The environment is modeled at a generic level as a rigid matrix which atoms interact with the atoms of an embedded Au-Pd cuboctahedral cluster via a Lennard Jones (LJ) potential. The high sensitivity of the cluster properties on its environment is demonstrated by scaling the LJ potential. It is found that the strength of the interfacial interactions completely determines surface segregation. Full segregation with either Au or Pd at the surface favors the occurrence of stable alloy phases in the cluster core while the subsurface layer acts as a buffer accommodating both the induced surface segregation and the inner composition constrained by phase stability. Cluster surface disorder induced by an amorphous matrix limits interface segregation and phase stability in the cluster core, even when the interfacial interaction strength is weak. The contrast between the epitaxial and amorphous matrix cases over a wide range of interface energies suggests the importance in the thermodynamic properties of the cluster core of the interfacial atomic arrangement in the matrix.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. R. Ferrando, J. Jellinek, R.L. Johnston, Chem. Rev. 108, 845 (2008)

    Article  Google Scholar 

  2. A.F. Lee, C.J. Baddeley, C. Hardacre, R.M. Ormerod, R.M. Lambert, G. Schmid, H. West, J. Phys. Chem. 99, 6096 (1995)

    Article  Google Scholar 

  3. J.K. Edwards, B.E. Solsona, P. Landon, A.F. Carley, A. Herzing, C.J. Kiely, G.J. Hutchings, J. Catal. 236, 69 (2005)

    Article  Google Scholar 

  4. I. Atanasov, M. Hou, Surf. Sci. 603, 2639 (2009)

    Article  ADS  Google Scholar 

  5. B.H. Morrow, A. Striolo, Phys. Rev. B 81, 155437 (2010)

    Article  ADS  Google Scholar 

  6. D. Cheng, W. Wang, S. Huang, J. Phys. Chem. C 111, 8037 (2007)

    Article  Google Scholar 

  7. A. Dzhurakhalov, M. Hou, Phys. Rev. B 76, 045429 (2007)

    Article  ADS  Google Scholar 

  8. J.A. Pakarinen, M. Backman, F. Djurabekova, K. Nordlund, Phys. Rev. B 79, 085426 (2009)

    Article  ADS  Google Scholar 

  9. M. Di Vece, S. Bals, J. Verbeeck, P. Lievens, G. Van Tendeloo, Phys. Rev. B 80, 125420 (2009)

    Article  ADS  Google Scholar 

  10. I.V. Yudanov, K.M. Neyman, Phys. Chem. Chem. Phys. 12, 5094 (2010)

    Article  Google Scholar 

  11. G. Tréglia, B. Legrand, F. Ducastelle, Europhys. Lett. 7, 575 (1988)

    Article  ADS  Google Scholar 

  12. F. Pittaway, L.O. Paz-Borbon, R.L. Johnston, H. Arslan, R. Ferrando, C. Mottet, G. Barcaro, A. Fortunelli, J. Phys. Chem. C 113, 9141 (2009)

    Article  Google Scholar 

  13. Y.W. Lee, M. Kim, Z.H. Kim, S.W. Han, J. Am. Chem. Soc. 131, 17036 (2009)

    Article  Google Scholar 

  14. Y. Ding, F. Fan, Z. Tian, Z.L. Wang, J. Am. Chem. Soc. 132, 12480 (2010)

    Article  Google Scholar 

  15. T. Visart de Bocarmé, M. Moors, N. Kruse, I.S. Atanasov, M. Hou, A. Cerezo, G.D.W. Smith, Ultramicroscopy 109, 619 (2009)

    Article  Google Scholar 

  16. F. Tao et al., Science 322, 932 (2008)

    Article  ADS  Google Scholar 

  17. M.E. Grass, M. Park, F. Aksoy, Y. Zhang, M. Kunz, Z. Liu, B.S. Mun, Langmuir 26, 16362 (2010)

    Article  Google Scholar 

  18. F. Tao et al., J. Am. Chem. Soc. 132, 8697 (2010)

    Article  Google Scholar 

  19. N.C. Hernández, J.F. Sanz, Catal. Today 128, 230 (2007)

    Article  Google Scholar 

  20. Y. Long, N.X. Chen, J. Phys.: Condens. Matter 19, 196216 (2007)

    Article  MathSciNet  ADS  Google Scholar 

  21. A. Jiang, N. Awasthi, A.N. Kolmogorov, W. Setyawan, A. Börjesson, K. Bolton, Phys. Rev. B 75, 205426 (2007)

    Article  ADS  Google Scholar 

  22. S.C. Moss, J.F. Graczyk, Proc. Int. Conf. on the Physics of Semiconductors, edited by S.P. Keller, J.C. Hensel, F. Stern (Cambridge, MA, USA Atomic Energy Commission, 1970), p. 658

  23. G.F. Wang, M.A. VanHove, P.N. Ross, M.I. Baskes, J. Phys. Chem. B 109, 11683 (2005)

    Article  Google Scholar 

  24. D. Cheng, D. Cao, Eur. Phys. J. B 66, 17 (2008)

    Article  ADS  Google Scholar 

  25. S.M. Foiles, Phys. Rev. B 32, 7685 (1985)

    Article  ADS  Google Scholar 

  26. E.E. Zhurkin, M. Hou, J. Phys.: Condens. Matter 12, 6735 (2000)

    Article  ADS  Google Scholar 

  27. M.S. Daw, M.I. Baskes, Phys. Rev. Lett. 50, 1285 (1983)

    Article  ADS  Google Scholar 

  28. R.A. Johnson, Phys. Rev. B 39, 12554 (1989)

    Article  ADS  Google Scholar 

  29. R.A. Johnson, Phys. Rev. B 41, 9717 (1990)

    Article  ADS  Google Scholar 

  30. J.M. Cowley, Phys. Rev. 77, 669 (1950)

    Article  ADS  MATH  Google Scholar 

  31. I.S. Atanasov, M. Hou, Eur. Phys. J. D 52, 51 (2009)

    Article  ADS  Google Scholar 

  32. W.D. Luedtke, U. Landman, Phys. Rev. Lett. 82, 3835 (1999)

    Article  ADS  Google Scholar 

  33. S.K.R.S. Sankaranarayanan, V.R. Bhethanabotla, B. Joseph, Phys. Rev. B 72, 195405 (2005)

    Article  ADS  Google Scholar 

  34. M.A. Vasiliev, J. Phys. D: Appl. Phys. 30, 3037 (1997)

    Article  ADS  Google Scholar 

  35. M. Hou, M. El Azzaoui, H. Pattyn, J. Verheyden, G. Koops, G. Zhang, Phys. Rev. B 62, 5117 (2000)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Physique des Solides Irradiés et des Nanostructures, CP234, Faculté des Sciences, Université Libre de Bruxelles, Bd. Du Triomphe, 1050, Bruxelles, Belgium

    D. Cheng & M. Hou

  2. Division of Molecular and Materials Simulation, Key Lab for Nanomaterials, Ministry of Education, Beijing University of Chemical Technology, Beijing, 100029, P.R. China

    D. Cheng

  3. Institute of Electronics, Bulgarian Academy of Sciences, Tzarigradsko Chaussée 72, 1784, Sofia, Bulgaria

    I.S. Atanasov

Authors
  1. D. Cheng
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. I.S. Atanasov
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. M. Hou
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to M. Hou.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Cheng, D., Atanasov, I. & Hou, M. Influence of the environment on equilibrium properties of Au-Pd clusters. Eur. Phys. J. D 64, 37–44 (2011). https://doi.org/10.1140/epjd/e2011-20129-9

Download citation

  • Received:

  • Revised:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1140/epjd/e2011-20129-9

Keywords

Search

Navigation