Novel alkali metal AFe3H8 (A = Na, K, Rb) hydrides explored by first-principles calculations for hydrogen storage
Zakaria El Fatouaki, El Mustapha Hrida, Abdellah Tahiri, Abderrahim Jabar, Mohamed Idiri
Topics & Concepts
Hydrogen storageHydrideHydrogenMaterials scienceMetalGravimetric analysisAlkali metalThermal stabilityPerovskite (structure)Magnetic momentLattice constantPhysical chemistryAnalytical Chemistry (journal)Electronic band structureInorganic chemistryDesorptionTransition metalElectronic structurePhononCrystallographyDensity functional theoryThermal desorptionMagnetismBand gapThermogravimetric analysisAb initio quantum chemistry methodsCrystal structureLithium hydrideLattice (music)Binding energyDeuteriumElectronic bandHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionAdvanced Battery Materials and Technologies