Molecular oxygen chemisorption on copper clusters has been studied using a jellium description of the clusters. Calculations were performed in the framework of the local spin density approximation and the density was expanded according to the MO-LCAO method. To evaluate the applicability of this app
A new approach to the study of chemisorption on large metal clusters
β Scribed by G.P. Das
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 346 KB
- Volume
- 114
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
A theory is proposed to obtain a realistic description of a large cluster in problems involving chemisorption and similar surface phenomena.
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Large increases in the photoionization threshold energies ofsmail V, N&, and Fe, clusters (~~3-25) mdueed by cbemisorption of H2 have been observed using photoionization time-of-flight mass spectrometry of a molecular beam. These shifis exhibit a definite dependence both on the number of atoms const
The conversion of an adsorption complex consisting of a plane mercury atom cluster and one halogenide ion (Cl \_, Br \_, I -) solvated by six water molecules from a nearly symmetrically solvated state of the ion near the interface into a chemisorbed state with direct contact between mercury and halo