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Nanotechnologies in Russia

, Volume 6, Issue 11–12, pp 717–722 | Cite as

Activation of oxygen on palladium nanocluster

  • A. V. Beletskaya
  • D. A. Pichugina
  • N. E. Kuz’menko
Articles

Abstract

A simulation of oxygen adsorption on a palladium nanocluster has been performed using density functional theory. It has been demonstrated that the formation of Pd8O2 complexes occurs according to the dissociation mechanism. The most probable centers of oxygen activation are atoms of metal with excess Pdδ− electron density. The possibility of identifying the oxygen coordination type on a Pd8 cluster using the IR spectra is discussed.

Keywords

Palladium Atom Density Functional Study Dissocia Tion Palladium Cluster Palladium Surface 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Pleiades Publishing, Ltd. 2011

Authors and Affiliations

  • A. V. Beletskaya
    • 1
  • D. A. Pichugina
    • 1
  • N. E. Kuz’menko
    • 1
  1. 1.Faculty of ChemistryMoscow State UniversityMoscowRussia

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