| Literature DB >> 19919137 |
Anders Hellman1, Simon Klacar, Henrik Grönbeck.
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.Entities:
Year: 2009 PMID： 19919137 DOI： 10.1021/ja906865f
Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419