Journal of Physics Condensed Matter · 2011 · 40 citations · 57 references
Natural SciencesChemical EngineeringChemistryCatalysisOrganic ChemistrySurface ScienceCatalytic MaterialsOxidation ReactionsOxidation-reduction ReactionsRedox CatalysisSurface CatalysisSurface OxidationDirect Reaction MechanismsEpoxidationEpoxide FormationOxygen RemovalSelectivitySurface Oxygen Adsorption
It is demonstrated that, on a silver oxide surface, direct formation of ethylene oxide (EO) through the reaction between gas phase ethylene and surface oxygen is possible. The direct reaction channel produces EO selectively without competing with acetaldehyde (AA) formation. The oxometallacycle (OMC) forms on an oxygen vacant surface and reduces EO selectivity. Cl adsorption removes these surface vacant sites and hence prevents the formation of the OMC intermediate.
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17