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Toward hydrogen storage material in fluorinated zirconium metal-organic framework (MOF-801): A periodic density functional theory (DFT) study of fluorination and adsorption

Niko Prasetyo, Fajar Inggit Pambudi

2020International Journal of Hydrogen Energy59 citationsDOI

Topics & Concepts

AdsorptionZirconiumElectronegativityDensity functional theoryHydrogen storageMetal-organic frameworkBinding energyHydrogenInorganic chemistryMetalHydrogen bondChemistryPhysical chemistryHydrogen fluorideMoleculeMaterials scienceComputational chemistryOrganic chemistryAtomic physicsPhysicsMetal-Organic Frameworks: Synthesis and ApplicationsHydrogen Storage and MaterialsInorganic Fluorides and Related Compounds
Toward hydrogen storage material in fluorinated zirconium metal-organic framework (MOF-801): A periodic density functional theory (DFT) study of fluorination and adsorption | Litcius