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Adsorptions of Ni 8 Cluster on the Regular and Defect Sites of the MgO(001) Surface

✍ Scribed by Wang, Sheng-Guang; Li, Yong-Wang; Jiao, Haijun; Lu, Jia-Xing; He, Ming-Yuan

Book ID
124093198
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
165 KB
Volume
108
Category
Article
ISSN
0022-3654

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Cluster models of O2βˆ’ adsorption on regu
Cluster models of O2βˆ’ adsorption on regular and defect sites and Fs centers of the MgO (100) surface
✍ Gianfranco Pacchioni; Anna Maria Ferrari; Elio Giamello πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 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