Computational Studies of Transition Metal Nanoalloys || 98-Atom Pd–Pt Nanoalloys
✍ Scribed by Borbón, Lauro Oliver Paz
- Book ID
- 120508036
- Publisher
- Springer Berlin Heidelberg
- Year
- 2011
- Weight
- 474 KB
- Category
- Article
- ISBN
- 3642180124
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📜 SIMILAR VOLUMES
The electronic structures of Pd and Pt epitaxiai monolayers on Re and Ru (000 1) surfaces are studied within a self-consistent semi-empirical scheme. To this purpose an s-d-electron tight-binding Hamiltonian is treated by the recursion method. The overlayer d bands are shifted to higher binding ener
## Abstract Density functional theory (DFT) calculations have been performed to determine the interaction energy between a CO probe molecule and all atoms from the first three rows of the periodic table coadsorbed on Rh(100), Pd(100) and Ir(100) metal surfaces. Varying the coverage of CO or the coa