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Metal Deposition on Oxide Surfaces: A Quantum-Chemical Study of the Interaction of Rb, Pd, and Ag Atoms with the Surface Vacancies of MgO

✍ Scribed by Ferrari, Anna Maria; Pacchioni, Gianfranco


Book ID
118132836
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
223 KB
Volume
100
Category
Article
ISSN
0022-3654

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Chemical reactivity of oxygen vacancies
✍ Elizabeth Florez; Patricio Fuentealba; Fanor MondragΓ³n πŸ“‚ Article πŸ“… 2008 πŸ› Elsevier Science 🌐 English βš– 710 KB

Density functional theory was used to investigate the chemical reactivity of oxygen vacancies on the MgO surface towards CO 2 , NO 2 and metal atoms. The oxygen vacancies induce changes in the electronic structure of the MgO compared to that of the regular surface. The most common surface defects ca