First-principles screening of structural, electronic, optical and elastic properties of Cu-based hydrides-perovskites XCuH3 (X=Ca and Sr) for hydrogen storage applications
Bilal Ahmed, Muhammad Bilal Tahir, Akmal Ali, Muhammad Sagir
Topics & Concepts
Hydrogen storageDebye modelDensity functional theoryGravimetric analysisHydrideCrystallitePerovskite (structure)MetalMaterials scienceHydrogenElectronic structureChemistryPhysical chemistryCrystallographyThermodynamicsComputational chemistryMetallurgyPhysicsOrganic chemistryHydrogen Storage and MaterialsAdvanced battery technologies researchAdvanced Battery Materials and Technologies