Nanotechnologies in Russia

, Volume 11, Issue 1–2, pp 7–11

Electron delocalization in heterogeneous AunHm systems

  • N. V. Dokhlikova
  • N. N. Kolchenko
  • M. V. Grishin
  • B. R. Shub
Article

Abstract

We studied the size effects in homogeneous Aun nanoclusters (n = 11–21, 31–37) and a heterogeneous “planar” AunHm nanocluster (n = 13, 31, m = 1–12, 1–6) by computer simulation in the electron density functional approximation. The correlation between the features of size effects on the physicochemical properties of heterogeneous AunHm nanoclusters and a sequence of electronic magic numbers demonstrates a delocalized nature of occupied electronic states with near-Fermi energy.

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Copyright information

© Pleiades Publishing, Ltd. 2016

Authors and Affiliations

  • N. V. Dokhlikova
    • 1
  • N. N. Kolchenko
    • 1
  • M. V. Grishin
    • 1
  • B. R. Shub
    • 1
  1. 1.Semenov Institute of Chemical PhysicsRussian Academy of SciencesMoscowRussia

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