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
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