Cluster quantum chemical study of the reaction of molecules with a magnesium oxide surface. II. Molecular and dissociative adsorption of H2O

N. U. Zhanpeisov, A. G. Pel'menshchikov, G. M. Zhidomirov

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1 Citation (Scopus)

Abstract

In terms of the cluster approach, we have considered molecular and dissociative adsorption of water on a dehydroxylated MgO surface. For the molecular form of adsorption, reaction according to a coordination mechanism is preferred over formation of hydrogen-bonded structures. Dissociative adsorption can occur on magnesium ions with low coordination numbers (3 and 4) and the oxygen of the oxide surface. We discuss the question of the degradation of MgO upon reaction with H2O.

Original languageEnglish
Pages (from-to)875-877
Number of pages3
JournalKinetics and Catalysis
Volume32
Issue number4 pt 2
Publication statusPublished - 1992 Feb 1

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Modelling and Simulation
  • Computer Science Applications

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