Science · 2010 · 732 citations · 30 references
Natural SciencesChemistryMaterials ScienceCatalysisPhysical ChemistrySurface ScienceCatalyst DesignCatalytic MaterialsCatalytic MechanismsSupported CatalystsSurface CatalysisSurface ReactivityActive Site AnalysisCatalyst MechanismsCatalyst Structure - Activity RelationshipsIonizable Surface GroupsMetal Oxide CatalystsMetal-based CatalysisTransition Metal Catalyst DesignWater-gas Shift Reaction
We report that alkali ions (sodium or potassium) added in small amounts activate platinum adsorbed on alumina or silica for the low-temperature water-gas shift (WGS) reaction (H(2)O + CO → H(2) + CO(2)) used for producing H(2). The alkali ion-associated surface OH groups are activated by CO at low temperatures (~100°C) in the presence of atomically dispersed platinum. Both experimental evidence and density functional theory calculations suggest that a partially oxidized Pt-alkali-O(x)(OH)(y) species is the active site for the low-temperature Pt-catalyzed WGS reaction. These findings are useful for the design of highly active and stable WGS catalysts that contain only trace amounts of a precious metal without the need for a reducible oxide support such as ceria.
30
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17