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Density functional study on the reaction of CO molecules with MgO surfaces

✍ Scribed by Hisayoshi Kobayashi; Dennis R. Salahub; Tomoyasu Ito

Book ID
108023497
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
459 KB
Volume
23
Category
Article
ISSN
0920-5861

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πŸ“œ SIMILAR VOLUMES

Adsorption of CO molecules on a MgO(001)
Adsorption of CO molecules on a MgO(001) surface. Model cluster density functional study employing a gradient-corrected potential
✍ Konstantin M. Neyman; Sergey Ph. Ruzankin; Notker RΓΆsch πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 814 KB

A density functional model cluster study of CO adsorbed on a MgO(001) surface has been carried out in order to accurately estimate bonding and vibrational parameters of the adsorption complex and to make a thorough analysis of the observables. Computed data for extended stoichiometric cluster models