Perovskite-type hydrides ACaH <sub>3</sub> (A = Li, Na): computational investigation on materials properties for hydrogen storage applications
S.‐G. Ri, Un-Gi Jong, Thae-Song Im, Un‐Ryong Rim
Abstract
We systematically investigated hydrogen storage properties of hydride perovskite ACaH 3 (A = Li, Na), demonstrating materials stability, high storage capacities of 5.99 wt% and 63.77 g L −1 and suitable dehydrogenation temperature of 450 K for LiCaH 3 .
Topics & Concepts
Hydrogen storageDehydrogenationHydridePerovskite (structure)HydrogenMaterials scienceChemical engineeringLithium hydrideInorganic chemistryChemistryCatalysisCrystallographyOrganic chemistryIonIonic bondingEngineeringHydrogen Storage and MaterialsSuperconductivity in MgB2 and AlloysHybrid Renewable Energy Systems