First-principles insights into LiMgXH6 (X = Al, Ga, In) for hydrogen storage: A comprehensive study of structural stability, electronic, mechanical, and optical properties
Diwen Liu, Lanhua Wu, Kaixin Cao, Huihui Zeng, Fang Liu, Rongjian Sa
Topics & Concepts
HydrogenHydrogen storageGravimetric analysisMaterials scienceBand gapBrittlenessHydrideChemical physicsAbsorption (acoustics)UltravioletAttenuation coefficientChemical stabilityStructural stabilityElectronic band structurePhononElectronic structureNanotechnologyChemistryMaterial propertiesDirect and indirect band gapsCrystal structureThermodynamicsPhysical chemistryAcceptorHydrogen Storage and MaterialsHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic Conductivity