Catalysis Science & Technology · 2024 · 13 citations · 42 references
Natural SciencesChemical EngineeringChemistryCatalysisReaction EngineeringSurface ScienceCatalyst DesignCatalytic MaterialsCatalytic MechanismsCatalytic Reaction EngineeringCatalytic Reaction KineticsSupported CatalystsAlcohol OxidationCatalyst MechanismsCatalyst Structure-activity RelationshipsCatalytic FunctionalizationCo OxidationCo-catalystsOxidationSelective Oxidation
The enhanced catalytic performance of Co 1 /NC catalysts compared to the Co NPs /NC catalyst was attributed to the formed CoN 4 sites, which could moderately activate oxygen and accelerate the desorption of generated benzaldehyde.
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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