Science · 2024 · 190 citations · 93 references
Natural SciencesChemistryMaterials ScienceCatalysisInorganic ChemistryMaterials ChemistryCatalyst DesignCatalytic MaterialsCatalytic Reaction EngineeringIndustrial CatalysisIndustrial Catalytic ProcessesSurface CatalysisDehydrogenationDehydrogenation CatalysisDehydrogenation ReactionsMetal Oxide CatalysisMetal Oxide CatalystsOxide CatalysisPropane ConversionTransition Metal Oxides
The industrial catalysts utilized for propane dehydrogenation (PDH) to propylene, an important alternative to petroleum-based cracking processes, either use expensive metals or metal oxides that are environmentally unbenign. We report that a typically less-active oxide, titanium oxide (TiO 2 ), can be combined with earth-abundant metallic nickel (Ni) to form an unconventional Ni@TiO x catalyst for efficient PDH. The catalyst demonstrates a 94% propylene selectivity at 40% propane conversion and superior stability under industrially relevant conditions. Complete encapsulation of Ni nanoparticles was allowed at elevated temperatures (>550°C). A mechanistic study suggested that the defective TiO x overlayer consisting of tetracoordinated Ti sites with oxygen vacancies is catalytically active. Subsurface metallic Ni acts as an electronic promoter to accelerate carbon-hydrogen bond activation and hydrogen (H 2 ) desorption on the TiO x overlayer.
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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