Theoretical aspects of H2 and CO chemisorption on MgO surfaces
β Scribed by E.A. Colbourn; W.C. Mackrodt
- Publisher
- Elsevier Science
- Year
- 1982
- Weight
- 56 KB
- Volume
- 117
- Category
- Article
- ISSN
- 0167-2584
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π SIMILAR VOLUMES
Ab initio and semiempirical calculations have been performed on an ## Ε½ . Ε½ . MgO cluster model in order to study the effects of water coverage on pure MgO 100 16 surfaces. The geometries of various adsorbed water molecules have been optimized and the binding energies, charge transfer, and prefer
## Abstract On the surface: Adsorption of O~2~ at the surface oxygen vacancy (SOV) sites of TiO~2~ reconstructs the lattice oxygen (healing SOVs), resulting in a decrease of the photocatalytic activity of oxidizing CO over vacuumβpretreated TiO~2~ with increasing temperature (see scheme). Adsorptio