Energy & Environmental Science · 2022 · 53 citations · 32 references
Natural SciencesChemical EngineeringChemistryCatalysisInorganic ChemistryReaction EngineeringCatalyst DesignCatalyst PreparationCatalyst SynthesisCatalytic MaterialsCatalytic Reaction EngineeringIndustrial Catalytic ProcessesActivation EnergyAmmonia SynthesisAmmonia Synthesis CatalysisApparent Activation EnergyCatalyst Structure - Activity RelationshipsDensity Functional Theory In CatalysisEnergy ConsumptionMetal Catalysts
In situ dosing of metallic Cs on Ru surface results in a higher Cs coverage (compared to conventional ex situ promotion techniques) which enhances the catalytic performance of Ru for ammonia synthesis.
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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
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<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
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