A Density Functional Theory study of molecular hydrogen adsorption on Mg site in OFF type zeolite cluster
Numan Yüksel, Ahmet Köse, Mehmet Ferdi Fellah
Topics & Concepts
ZeoliteAdsorptionEnthalpyDensity functional theoryHydrogenElectronegativityHydrogen storageChemistryPhysical chemistryMoleculeHydrogen atomCluster (spacecraft)Inorganic chemistryThermodynamicsComputational chemistryCatalysisOrganic chemistryPhysicsComputer scienceAlkylProgramming languageHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchSuperconductivity in MgB2 and Alloys