Low temperature CO oxidation over supported ultrathin MgO films.
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.
Hellman
Anders
A
Competence Center for Catalysis and Department of Applied Physics, Chalmers University of Technology, SE-412 96 Göteborg, Sweden.
Klacar
Simon
S
Grönbeck
Henrik
H