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An Ab-initio simulation of boron-based hydride perovskites XBH3 (X = Cs and Rb) for advance hydrogen storage system

Materials ScienceHydrogen Energy TechnologyEngineeringAb-initio SimulationNatural SciencesCondensed Matter PhysicsApplied PhysicsEnergy StorageHalide PerovskitesQuantum ChemistryChemistryHydrogenLead-free Perovskites