Investigation of K2TiH6 and Ca2TiH6 under pressures from 0 to 20 GPa: Structural, electronic, thermodynamic, mechanical, vibrational, and hydrogen storage properties
Salih Ermiş, A. İyigör, Cihan Kürkçü
Topics & Concepts
Materials scienceHydrogen storageDensity functional theoryHydrideHydrogenDuctility (Earth science)BrittlenessThermodynamicsMetalGravimetric analysisMagnesium hydrideBand gapEnergy carrierStructural stabilityChemical physicsTantalumEnthalpyBinding energyHydrogen fuelMolecular dynamicsEnergy storageMolecular vibrationDensity of statesFerromagnetismPhysical chemistryMetallurgyAmbient pressureHydrogen Storage and MaterialsSuperconductivity in MgB2 and AlloysHigh-pressure geophysics and materials