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Electronic structure of gold nanoparticles

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Abstract

Using the B3LYP/LANL2DZ method, we have calculated the spatial and electronic structures of a Au32 nanocluster with I h symmetry. The results suggest that the highest occupied orbitals have a significant density of d states, in agreement with angle-resolved photoelectron spectroscopy data for metallic gold. Relying on the densities of states obtained for the occupied and excited orbitals, we discuss optical electronic transitions in a laser based on gold nanoparticles.

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Authors and Affiliations

  1. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 119991, Russia

    V. G. Yarzhemsky

  2. Research Institute of Technical Glass, ul. Krzhizhanovskogo 29, Moscow, 117218, Russia

    E. N. Murav’ev

  3. Lebedev Institute of Physics, Russian Academy of Sciences, Leninskii pr. 53, Moscow, 119991, Russia

    M. A. Kazaryan

  4. Institute of Atomic and Molecular Sciences, Academia Sinica, 1 Roosevelt Road, Taipei, 10617, Taiwan

    Yu. A. Dyakov

Authors
  1. V. G. Yarzhemsky
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  2. E. N. Murav’ev
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  3. M. A. Kazaryan
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  4. Yu. A. Dyakov
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Correspondence to V. G. Yarzhemsky.

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Original Russian Text © V.G. Yarzhemsky, E.N. Murav’ev, M.A. Kazaryan, Yu.A. Dyakov, 2012, published in Neorganicheskie Materialy, 2012, Vol. 48, No. 11, pp. 1205–1207.

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Yarzhemsky, V.G., Murav’ev, E.N., Kazaryan, M.A. et al. Electronic structure of gold nanoparticles. Inorg Mater 48, 1075–1077 (2012). https://doi.org/10.1134/S0020168512110180

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  • DOI: https://doi.org/10.1134/S0020168512110180

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