Abstract
By use of density-functional theory we analyze the on-surface adsorption of oxygen on Pd(111) for coverages up to 1 monolayer and compare the results with corresponding data for the other late 4d transition metals, namely, Ru, Rh, and Ag. Besides the known effect of the continued d-band filling on the oxygen-metal bond strength, we also discern trends in the adsorption geometries, work functions, and electron density of states. The repulsive lateral interactions in the overlayer give rise to a pronounced reduction of the adsorption
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