Chemical Science · 2024 · 18 citations · 61 references
Natural SciencesChemistryMaterials ScienceCatalysisInorganic ChemistrySolid-state ChemistryCatalyst DesignCatalyst SynthesisCatalytic MaterialsCatalytic Reaction EngineeringRedox CatalysisSupported CatalystsCatalyst MechanismsCatalyst OptimizationCatalyst Structure - Activity RelationshipsElectron DelocalizationHeterogeneous Catalyst DesignLigand DesignMolecular Orbital DelocalizationSupported Catalyst Preparation
A harmonious axial-coordinated Pt x Fe/FeN 4 CCl catalyst was designed and fabricated by a simple method, integrating a structurally ordered PtFe intermetallic with an orbital electron-delocalization FeN4CCl support for synergistic ORR catalysis.
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Improved grid‐based algorithm for Bader charge allocation
Edward Sanville, S.D. Kenny, Roger Smith et al. · Journal of Computational Chemistry · 2007 · 4.2K citations · Full text
Electronic factors determining the reactivity of metal surfaces
Bjørk Hammer, Jens K. Nørskov · Surface Science · 1995 · 2.8K citations