Endohedral doping of Ca12O12-X (X = Zn, Cd, and Hg) as hydrogen storage materials
Mohsen Doust Mohammadi, Hitler Louis, Onyinye J. Ikenyirimba, Gideon E. Mathias, Tomsmith O. Unimuke, Michael E. Rasaki
Topics & Concepts
Hydrogen storageDensity functional theoryvan der Waals forceAdsorptionHydrogenDopantDopingNanocagesChemistryBinding energyMetalZincChemical physicsMaterials sciencePhysical chemistryInorganic chemistryComputational chemistryMoleculeAtomic physicsCatalysisOrganic chemistryPhysicsOptoelectronicsHydrogen Storage and MaterialsCatalytic Processes in Materials ScienceAmmonia Synthesis and Nitrogen Reduction