Nature Communications · 2019 · 456 citations · 51 references
Natural SciencesChemical EngineeringChemistryCatalysisIndustrial ChemistryReaction EngineeringCatalyst DesignCatalytic MaterialsCatalytic Reaction EngineeringHeterogeneous CatalysisIndustrial CatalysisIndustrial Catalytic ProcessesActive Site AnalysisCatalyst ActivationCatalyst Performance EvaluationCatalytic Process OptimizationMetal Oxide CatalystsMethanol Synthesis CatalysisPalladium CatalystsStructured Catalysts
Abstract Metal promotion is broadly applied to enhance the performance of heterogeneous catalysts to fulfill industrial requirements. Still, generating and quantifying the effect of the promoter speciation that exclusively introduces desired properties and ensures proximity to or accommodation within the active site and durability upon reaction is very challenging. Recently, In 2 O 3 was discovered as a highly selective and stable catalyst for green methanol production from CO 2 . Activity boosting by promotion with palladium, an efficient H 2 -splitter, was partially successful since palladium nanoparticles mediate the parasitic reverse water–gas shift reaction, reducing selectivity, and sinter or alloy with indium, limiting metal utilization and robustness. Here, we show that the precise palladium atoms architecture reached by controlled co-precipitation eliminates these limitations. Palladium atoms replacing indium atoms in the active In 3 O 5 ensemble attract additional palladium atoms deposited onto the surface forming low-nuclearity clusters, which foster H 2 activation and remain unaltered, enabling record productivities for 500 h.
51
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
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17