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Russian Chemical Bulletin

, Volume 54, Issue 10, pp 2264–2269 | Cite as

Interaction of Co6 cluster with γ-alumina surface: A quantum chemical study

  • M. N. Mikhailov
  • G. M. Zhidomirov
  • A. Yu. Krylova
Article

Abstract

The interaction of Co6 cluster with partially dehydroxylated γ-alumina surface was studied by the DFT method. Hydrogen atoms of surface hydroxyl groups can be transferred to the metal particle to form partially oxidized cobalt states. The energy characteristics of hydrogen transfer were determined and changes in the electronic structure of supported Co6 particles were characterized.

Key words

supported cobalt particles surface hydroxyl groups of alumina quantum chemical calculations 

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Copyright information

© Springer Science+Business Media, Inc. 2005

Authors and Affiliations

  • M. N. Mikhailov
    • 1
  • G. M. Zhidomirov
    • 2
  • A. Yu. Krylova
    • 1
  1. 1.N. D. Zelinsky Institute of Organic ChemistryRussian Academy of SciencesMoscowRussian Federation
  2. 2.G. K. Boreskov Institute of CatalysisSiberian Branch of the Russian Academy of SciencesRussian Federation

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