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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

2024Journal of Energy Storage62 citationsDOI

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
A precise prediction of structure stability and hydrogen storage capability of KCdH3 perovskite hydride using density functional theory calculations | Litcius