DFT insights on structural, electronic, optical and mechanical properties of double perovskites X2FeH6 (X = Ca and Sr) for hydrogen-storage applications
Bilal Ahmed, Muhammad Bilal Tahir, Akmal Ali, Muhammad Sagir
Topics & Concepts
Hydrogen storageGravimetric analysisHydrogenBand gapMaterials scienceSemiconductorDielectricChemical physicsChemistryPhysical chemistryThermodynamicsOptoelectronicsOrganic chemistryPhysicsHydrogen Storage and MaterialsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase Materials