We study the chemisorption of hydrogen on epitaxial and incommensurate Pd overlayers deposited on Ta and W ( 1 lo), respectively, within a self-consistent tight-binding recursion-scheme model. The incommensurate films are described by a meanfield Hamiltonian. On the epitaxial layer the H-Pd bonding
Tight-binding model of CO chemisorption on Pd/W (110) and Pt/W (110) surfaces
✍ Scribed by Štěpán Pick
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 367 KB
- Volume
- 239
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
We study the CO chemisorption on epitaxial Pd and Pt monolayers grown on W (110), by using a simple tight-binding self-consistent recursion method model. The tr donation, "rr back-donation and the adsorption energy are reduced by the substrate presence. For the atop site above Pd/W (110), however, the situation does not differ much from the chemisorption at the atop position above Pd (111), and this site can be preferred on Pd/W (110) or Pd/Ta (110). Core-level shifts induced on metal atoms by the chemisorption are also discussed.
📜 SIMILAR VOLUMES
By using the full potential linearized augmented plane wave method, the structural and electronic properties of Pd/W(001) and Pd/W(110) are investigated. Through force calculations, the Pd adlayer is found to remove the surface relaxation almost completely for the W(110) substrate but only partially
The electronic structures of Pd and Pt epitaxial monolayers on a W (0 I1 ) surface are studied within a self-consistent tightbinding scheme. The effective Pd (Pt) d-band filling found experimentally as well as in theoretical studies for similar systems is reproduced without the necessity of introduc