Study of the electronic structure of Ag, Au, Pt and Pd clusters adsorption on graphene and their effect on conductivity

  • Roxana Mitzayé Del Castillo
  • Luis Enrique Sansores
Regular Article

Abstract

When metallic clusters are adsorbed by pristine graphene, the conductivity of the system is modified. In this paper the adsorption of silver, gold, platinum and palladium cluster with n atoms (n = 1, 2, 3 and 4) and their effect on conductivity are studied. Ground state properties and electronic structure calculations at DFT level are undertaken for each system. Conductivity is calculated taking three different approaches; frozen ripples, charged impurities and resonant scattering. Adsorption sites are the scattering centres of our systems. For conductivity calculations, size and scattering potential are obtained from our calculations. Systems Pt and Pd are in the chemisorption range and the network distortion is such that conductivity diminishes so that it is no longer in the ballistic regimen. Systems Ag and Au are in the physisorption range, the network preserves the natural two dimensionality of the graphene sheet and conductivity is still in the ballistic regimen.

Keywords

Solid State and Materials 

References

  1. 1.
    K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, A.A. Firsov, Science 306, 666 (2006) CrossRefADSGoogle Scholar
  2. 2.
    S. Bae, H. Kim, Y. Lee, X. Xu, J. Park, Y. Zheng, J. Balakrishnan, T. Lei, H. Kim, Y. Song, Y. Kim, K.S. Kim, B. Özyilmaz, J. Ahn, B. Hong, S. Iijima, Nat. Nanotechnol. 5, 574 (2010)CrossRefADSGoogle Scholar
  3. 3.
    J.S. Wang, Y. Geng, Q. Zheng, J. Kim, Carbon 48, 1815 (2010) CrossRefGoogle Scholar
  4. 4.
    S.L. Hellstrom, H.W. Lee, Z. Bao, ACS Nano 23, 1423 (2009) CrossRefGoogle Scholar
  5. 5.
    H. Chen, Z. Gao, Y. Cui, G. Chen, D. Tang, Biosensors Bioelectronics 44, 108 (2013)CrossRefGoogle Scholar
  6. 6.
    E.L. Ratcliff, P.A. Lee, N.R. Armstrong, J. Mater. Chem. 20, 2672 (2010) CrossRefGoogle Scholar
  7. 7.
    B. Partoens, F.M. Peeters, Phys. Rev. B 74, 075404 (2006) CrossRefADSGoogle Scholar
  8. 8.
    A.K. Geim, K.S. Novoselov, Nat. Mater. 6, 183 (2007)CrossRefADSGoogle Scholar
  9. 9.
    T. Ando, J. Phys. Soc. Jpn 75, 074716 (2006) CrossRefADSGoogle Scholar
  10. 10.
    M.I. Katsnelson, A.K. Geim, Phil. Trans. R. Soc. A 366, 195 (2008) CrossRefADSGoogle Scholar
  11. 11.
    M.I. Katsnelson, F. Guinea, A.K. Geim, Phys. Rev. B 79, 195426 (2009) CrossRefADSGoogle Scholar
  12. 12.
    T.O. Wehling, S. Yuan, A.I. Lichtenstein, A.K. Geim, M.I. Katsnelson, Phys. Rev. Lett. 105, 056802 (2010) CrossRefADSGoogle Scholar
  13. 13.
    F. Schedin, A.K. Geim, S.V. Morozov, E.W. Hill, P. Blake, M.I. Katsnelson, K.S. Novoselov, Nat. Mater 6, 652 (2007)CrossRefADSGoogle Scholar
  14. 14.
    M. Caragiu, S. Finberg, J. Phys.: Condens. Matter 17, R995 (2005) ADSGoogle Scholar
  15. 15.
    K.M. Mc Creary, K. Pi, A.G. Swartz, H. Wei, W. Bao, C.N. Lu, F. Guinea, M.I. Katsnelson, R.K. Kawakami, Phys. Rev. B 81, 115453 (2010) CrossRefADSGoogle Scholar
  16. 16.
    H.W. Tien, Y. Huang, S. Yang, J. Wang, C.M. Ma, Carbon 49, 1550 (2011) CrossRefGoogle Scholar
  17. 17.
    M. Vanin, J.J. Mortensen, A.K. Kelkkanen, J.M. Garcia-Lastra, K.S. Thygesen, K.W. Jacobsen, Phys. Rev. B 81, 081408(R) (2010) CrossRefADSGoogle Scholar
  18. 18.
    M. Amft, B. Sahyal, O. Eriksson, N. Skorodumova, J. Phys.: Condens. Matter 23, 395001 (2011) Google Scholar
  19. 19.
    I. Cabria, M.J. López, A. Alonso, Phys. Rev. B 81, 035403 (2010) CrossRefADSGoogle Scholar
  20. 20.
    P. Giannozzi et al., J. Phys.: Condens. Matter 21, 395502 (2009) Google Scholar
  21. 21.
    J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1995) CrossRefADSGoogle Scholar
  22. 22.
    M. Methfessel, A.T. Paxton, Phys. Rev. B 40, 3616 (1989) CrossRefADSGoogle Scholar
  23. 23.
    H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13, 5188 (1976) MathSciNetCrossRefADSGoogle Scholar
  24. 24.
    D. Vanderbilt, Phys. Rev. B 41, 7892 (1990) CrossRefADSGoogle Scholar
  25. 25.
    A.M. Rappe, K.M. Rabe, E. Kaxiras, J.D. Joannopoulos, Phys. Rev. B 41, 1227 (1990); Erratum, Phys. Rev. B 44, 13175 (1991)CrossRefADSGoogle Scholar
  26. 26.
    K. Okazaki-Maeda, Y. Morikawa, M. Tanaka, S. Kohyama, Surf. Sci. 604, 144 (2010) CrossRefADSGoogle Scholar
  27. 27.
    H. Grönbeck, W. Andreoni, Chem. Phys. 262, 1 (2000)CrossRefADSGoogle Scholar
  28. 28.
    H. Hakkinen, B. Yoon, U. Landman, X. Li, H.-J. Zhai, Lai Wang, J. Phys. Chem. A 32, 6168 (2003) CrossRefGoogle Scholar
  29. 29.
    R. Thapa, D. Sen, M.K. Mitram, K.K. Chattopadhyay, Physica B 406, 368 (2011) CrossRefADSGoogle Scholar
  30. 30.
    S. Lin, B. Strauss, A. Kant, J. Chem. Phys. 51, 2282 (1969) CrossRefADSGoogle Scholar
  31. 31.
    O. Leenaerts, B. Paertoens, F.M. Peeters, Phys. Rev. B 77, 125416 (2008) CrossRefADSGoogle Scholar
  32. 32.
    P.O. Löwdin, Adv. Quantum Chem. 5, 185 (1970)CrossRefADSGoogle Scholar
  33. 33.
    L. Van Hove, Phys. Rev. B 89, 1189 (1953) CrossRefMATHGoogle Scholar
  34. 34.
    F. Guinea, J. Low Temp. Phys. 153, 356 (2008) CrossRefADSGoogle Scholar
  35. 35.
    J.H. Chen, C. Jang, S. Adam, M.S. Fuhrer, E.D. Williams, M. Ishigami, Nat. Phys. 4, 377 (2008)CrossRefGoogle Scholar
  36. 36.
    S.V. Morozov, K.S. Novoselov, M.I. Katsnelson, F. Schedin, D.C. Elias, J.A. Jaszczk, A.K. Geim, Phys. Rev. Lett. 100, 016602 (2008) CrossRefADSGoogle Scholar
  37. 37.
    M.I. Katsnelson, K.S. Novoselov, A.K. Geim, Nat. Phys. 2, 620 (2006)CrossRefGoogle Scholar
  38. 38.
    T. Stauber, N.M.R. Peres, F. Guinea, Phys. Rev. B 76, 205423 (2007) CrossRefADSGoogle Scholar
  39. 39.
    M. Fujita, K. Wajabayashi, K. Nakada, K. Kusakabe, J. Phys. Soc. Jpn 65, 1920 (1996) CrossRefADSGoogle Scholar
  40. 40.
    M.A.H. Vozmediano, M.P. López-Sancho, T. Stauber, F. Guinea, Phys. Rev. B. 72, 155 (2005)CrossRefGoogle Scholar
  41. 41.
    M. Hentschel, F. Guinea, Phys. Rev. B. 76, 115407 (2007) CrossRefADSGoogle Scholar
  42. 42.
    M.I. Katsnelson, K.S. Novoselov, Solid State Commun. 143, 3 (2007)CrossRefADSGoogle Scholar
  43. 43.
    P.M. Ostrovsky, I.V. Gornyi, A.D. Mirlin, Phys. Rev. B 74, 235443 (2006) CrossRefADSGoogle Scholar
  44. 44.
    M.I. Katsnelson, Eur. Phys. J. B 51, 157 (2006)CrossRefADSGoogle Scholar
  45. 45.
    M. Auslender, M.I. Katsnelson, Phys. Rev. B 76, 235425 (2007) CrossRefADSGoogle Scholar
  46. 46.
    M.I. Katsnelson, Phys. Rev. B 76, 073411 (2007) CrossRefADSGoogle Scholar
  47. 47.
    R. Pasricha, S. Gupta, A.K. Srivastava, Small 20, 2253 (2009) CrossRefGoogle Scholar
  48. 48.
    R.S. Sundaram, M. Steiner, Chiu Hsin-Ying, M. Engel, A.A. Bol, R. Krupke, M. Burghard, K. Kern, P. Avouris, Nano Lett. 11, 3833 (2011) CrossRefADSGoogle Scholar

Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2015

Authors and Affiliations

  • Roxana Mitzayé Del Castillo
    • 1
  • Luis Enrique Sansores
    • 1
  1. 1.Instituto de Investigaciones en MaterialesUniversidad Nacional Autónoma de MéxicoMéxico, D.F.Mexico

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