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 language | English |
|---|---|
| Pages (from-to) | 875-877 |
| Number of pages | 3 |
| Journal | Kinetics and Catalysis |
| Volume | 32 |
| Issue number | 4 pt 2 |
| Publication status | Published - 1992 Feb 1 |
ASJC Scopus subject areas
- Catalysis
- Chemistry(all)
- Modelling and Simulation
- Computer Science Applications
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Zhanpeisov, N. U., Pel'menshchikov, A. G., & Zhidomirov, G. M. (1992). Cluster quantum chemical study of the reaction of molecules with a magnesium oxide surface. II. Molecular and dissociative adsorption of H2O. Kinetics and Catalysis, 32(4 pt 2), 875-877.