Computational evaluation of comprehensive properties of MgX3H8 (X = Sc, Ti and Zr) as effective solid state hydrogen storage materials
Selgin Al, Nuran Cavdar, Nihat Arıkan
Topics & Concepts
Hydrogen storageMaterials scienceMachinabilityFermi levelDensity functional theoryHydrogenCASTEPDebye modelPhononValence (chemistry)ThermodynamicsAlloyBand gapCondensed matter physicsComposite materialMetallurgyComputational chemistryChemistryOptoelectronicsPhysicsQuantum mechanicsOrganic chemistryElectronMachiningHydrogen Storage and MaterialsNuclear Materials and PropertiesMagnesium Alloys: Properties and Applications