title: Low temperature CO oxidation over supported ultrathin MgO films.
abstract: Density functional theory is used to investigate CO oxidation over an ultrathin MgO film supported on Ag(100). O(2) is found to be activated on MgO/Ag(100) whereas CO is only weakly bonded to the surface. These adsorption properties together with a low activation barrier render the MgO/Ag system an efficient catalyst for CO oxidation at low temperatures. As the predicted mechanism is general in nature, the result is suggested to have implications for a wide range of oxidation reactions.
authors.affiliation: Competence Center for Catalysis and Department of Applied Physics, Chalmers University of Technology, SE-412 96 Göteborg, Sweden.
authors.forename: Anders
authors.initials: A
authors.lastname: Hellman
authors.forename: Simon
authors.initials: S
authors.lastname: Klacar
authors.forename: Henrik
authors.initials: H
authors.lastname: Grönbeck