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Transition metals supported on oxides: density functional cluster studies of palladium deposition on MgO(001)

✍ Scribed by Konstantin M. Neyman; Stefan Vent; Notker Rösch; Gianfranco Pacchioni

Book ID
110386071
Publisher
Springer
Year
1999
Tongue
English
Weight
146 KB
Volume
9
Category
Article
ISSN
1022-5528

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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 Rösch 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 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