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Adsorption of Cu, Pd, and Cs Atoms on Regular and Defect Sites of the SiO 2 Surface

โœ Scribed by Lopez, Nuria; Illas, Francesc; Pacchioni, Gianfranco


Book ID
120212299
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
161 KB
Volume
121
Category
Article
ISSN
0002-7863

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Cluster models of O2โˆ’ adsorption on regu
โœ Gianfranco Pacchioni; Anna Maria Ferrari; Elio Giamello ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 505 KB

We have investigated the interaction of O~-with Mg 2+ ions at terraces, edges and comers and with the Fs centers of the MgO (100) surface by means of ab initio cluster model wavefunctions. While O 2 is unbound or weakly bound at surface cations, O~-is electrostatically bound with adsorption energies