Proceedings of the National Academy of Sciences · 2017 · 498 citations · 42 references
Natural SciencesChemistryMaterials SciencePhysical ChemistrySurface ChemistrySurface ScienceCatalytic MaterialsDensity Functional TheoryMetal OxidesSurface CatalysisSurface OxidationX-ray Photoelectron SpectroscopyCatalyst MechanismsCatalyst Surface EngineeringCatalyst Surface StructureCo OxidationCopper ChemistryDensity Functional Theory In CatalysisMetal Oxide Catalyst DesignSurface Oxidation Mechanisms
Significance Combining ambient pressure X-ray photoelectron spectroscopy experiments and quantum mechanical density functional theory calculations, this work reveals the essential first step for activating CO 2 on a Cu surface, in particular, highlighting the importance of copper suboxide and the critical role of water. These findings provide the quintessential information needed to guide the future design of improved catalysts.
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