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, Ag2O) 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.
@article{arxiv.cond-mat/0303351,
title = {Ab-initio density functional study of O on the Ag(001) surface},
author = {M. Gajdos and A. Eichler and J. Hafner},
journal= {arXiv preprint arXiv:cond-mat/0303351},
year = {2009}
}