A precise prediction of structure stability and hydrogen storage capability of KCdH3 perovskite hydride using density functional theory calculations
Quratul Ain, Haider T. Naeem, Mubashar Ali, Junaid Munir, Zunaira Bibi, Hamid M. Ghaithan, Abdullah Ahmed Ali Ahmed, Saif M. H. Qaid
Topics & Concepts
Hydrogen storageHydrideDensity functional theoryPerovskite (structure)Stability (learning theory)HydrogenMaterials scienceComputer scienceChemistryComputational chemistryPhysicsCrystallographyQuantum mechanicsMachine learningHydrogen Storage and MaterialsMXene and MAX Phase MaterialsNuclear Materials and Properties