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Ab-initio density functional study of O on the Ag(001) surface

M. Gajdos·A. Eichler·J. Hafner
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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, Ag$_2$O) 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.

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M. Gajdos, A. Eichler, J. Hafner. 2003-03-18. Ab-initio density functional study of O on the Ag(001) surface. https://doi.org/10.1016/s0039-6028(03)00514-4

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