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First principles investigation of structural, mechanical, thermodynamic, and electronic properties of Al-based perovskites XAlH3 (X=K, Rb, Cs) for hydrogen storage

Muhammad Umer, G. Murtaza, Nazir Ahmad, Ahmad Ayyaz, Hafiz Hamid Raza, Ahmad Usman, Ayesha Liaqat, Salim Manoharadas

2024International Journal of Hydrogen Energy95 citationsDOI

Topics & Concepts

Bulk modulusHydrogen storageShear modulusDebye modelThermodynamicsMaterials scienceThermal expansionHydrogenPoisson's ratioPerovskite (structure)ChemistryCrystallographyComposite materialPoisson distributionMathematicsStatisticsPhysicsOrganic chemistryHydrogen Storage and MaterialsThermal Expansion and Ionic ConductivityMXene and MAX Phase Materials
First principles investigation of structural, mechanical, thermodynamic, and electronic properties of Al-based perovskites XAlH3 (X=K, Rb, Cs) for hydrogen storage | Litcius