Ab-initio density functional study of O on the Ag(001) surface
arXiv:cond-mat/0303351 · doi:10.1016/S0039-6028(03)00514-4
Abstract
The adsorption of oxygen on the Ag(001) is investigated by means of density functional techniques. Starting from a characterization of the clean silver surfaces oxygen adsorption in several modifications (molecularly, on-surface, sub-surface, AgO) for varying coverage was studied. Besides structural parameters and adsorption energies also work-function changes, vibrational frequencies and core level energies were calculated for a better characterization of the adsorption structures and an easier comparison to the rich experimental data.
26 pages, 8 figures, Surf. Sci. accepted
References in corpus (4)
- Reversible Work Transiton State Theory: Application to Dissociative Adsorption of Hydrogen
- Composition, structure and stability of RuO_2(110) as a function of oxygen pressure
- Surface Core Level Shifts of Clean and Oxygen Covered Ru(0001)
- Sub-surface Oxygen and Surface Oxide Formation at Ag(111): A Density-functional Theory Investigation
Cited by in corpus (5)
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- On-surface and Subsurface Adsorption of Oxygen on Stepped Ag(210) and Ag(410) Surfaces
- Adsorption and STM imaging of tetracyanoethylene on Ag(001): An ab-initio study