DFT study of electronic structure and geometry of anionic copper clusters (n = 11, 12, 13)
β Scribed by Vitaly E. Matulis; Dennis M. Palagin; Aliaksei S. Mazheika; Oleg A. Ivashkevich
- Book ID
- 108285820
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 701 KB
- Volume
- 857
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The Au/Ti(0 0 0 1) adsorption system was studied by low energy electron diffraction (LEED) and photoemission spectroscopy with synchrotron radiation after step-wise Au evaporation onto the Ti(0 0 0 1) surface. For adsorption of Au at 300 K, no additional superstructures were observed and the (1 Γ 1)
Density functional theory calculations were performed to investigate the binding of NO on small Ag n Pd m clusters (n + m 6 5). NO prefers binding to Pd site when both Ag and Pd atoms co-exist in the cluster. Generally the binding energies increase as the Pd composition increases for the given clust