𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio study of atomic Cl adsorption on stoichiometric and reduced rutile TiO2 (110) surfaces

✍ Scribed by Doris Vogtenhuber; Raimund Podloucky; J. Redinger


Book ID
117214617
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
285 KB
Volume
454-456
Category
Article
ISSN
0039-6028

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Adsorption of Au atoms on stoichiometric
✍ Yun Wang; Gyeong S Hwang πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 277 KB

Using ab initio quantum mechanical methods (DFT-GGA/LDA, pseudopotentials) we have investigated the adsorption properties of Au atoms on stoichiometric and reduced TiO 2 (1 1 0) rutile surfaces. This study predicts that the most stable adsorption site for the Au atom on the stoichiometric surface is

Effect of embedding and cluster size on
✍ Thomas Bredow πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 102 KB πŸ‘ 1 views

The results of Hartree᎐Fock ab initio model calculations for the Ž . adsorption of a single potassium atom on a bridging oxygen site of the rutile 110 surface are presented. The surface is simulated with small clusters Ti O and Ti O , either 2 4 4 8 embedded in a finite array of total ion potentials