Physical Review Letters · 2011 · 177 citations · 35 references
Natural SciencesChemistryMaterials ScienceMaterials ChemistryPhysical ChemistrySurface ChemistryMetal OxidesSurface CatalysisSurface Chemistry Of SolidsSurface OxidationSurface PhysicsX-ray Photoelectron SpectroscopyChemical State AnalysisOxidation MechanismsPressure-dependent ReactionsSurface Chemical State AnalysisSurface Chemistry Of OxidationSurface Oxidation MechanismsSurface Oxidation StatesX-ray Absorption Spectroscopy
The oxidation of Pt(111) at near-ambient O2 pressures has been followed in situ using x-ray photoelectron spectroscopy (XPS) and ex situ using x-ray absorption spectroscopy (XAS). Polarization-dependent XAS signatures at the O K edge reveal significant temperature- and pressure-dependent changes of the Pt-O interaction. Oxide growth commences via a PtO-like surface oxide that coexists with chemisorbed oxygen, while an ultrathin α-PtO2 trilayer is identified as the precursor to bulk oxidation. These results have important implications for understanding the chemical state of Pt in catalysis.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17