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We report on results of a theoretical study of the adsorption process of asingle carbon oxide molecule on a Platinum (111) surface. A four-componentrelativistic density functional method was applied to account for a properdescription of the strong relativistic effects. A limited number of atoms inthe framework of a cluster approach is used to describe the surface. Differentadsorption sites are investigated. We found that CO is preferably adsorbed atthe top position.Comment: 23 Pages with 4 figure

Adsorption of CO on cluster models of platinum (111): A four-component relativistic density-functional approach