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The adsorption properties of CO molecules adsorbed on Rh, Pd, and Ag atoms supported on various sites of the MgO surface have been studied by means of a density functional cluster model approach. The metal atoms are stabilized with different binding energies on the regular and morphological defect sites of the surface. Among others we considered oxide anions, neutral and charged anion vacancies (F...
The nature of the metal-metal interactions in a series of Pd/Rh(111) surfaces has been examined using thermal desorption mass spectroscopy, core- and valence-level photoemission, CO chemisorption, and ab initio self-consistent field calculations. A monolayer of Pd supported on Rh(111) exhibits a Pd 3d 5/2 binding energy ∼ 0.2 eV higher than that of the surface atoms of Pd(100), and...
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