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

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  • Roxana Castillo
  • Luis Sansores

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. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2015

Suggested Citation

  • Roxana Castillo & Luis Sansores, 2015. "Study of the electronic structure of Ag, Au, Pt and Pd clusters adsorption on graphene and their effect on conductivity," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 88(10), pages 1-13, October.
    • Handle: RePEc:spr:eurphb:v:88:y:2015:i:10:p:1-13:10.1140/epjb/e2015-60001-2
    DOI: 10.1140/epjb/e2015-60001-2
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    Solid State and Materials;

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