Transition metal atoms encapsulated within microporous Silicalite-1 zeolite: A systematic computational study
Hèctor Prats, Gerard Alonso, R. Sayós, Pablo Gamallo
Topics & Concepts
ZeoliteMicroporous materialTransition metalCatalysisDensity functional theorySteric effectsContext (archaeology)AdsorptionMaterials scienceAtom (system on chip)MetalCrystallographyNanotechnologyChemical physicsChemistryPhysical chemistryComputational chemistryStereochemistryComputer scienceOrganic chemistryComposite materialMetallurgyPaleontologyEmbedded systemBiologyElectrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceZeolite Catalysis and Synthesis