Insight into the mechanical, electronic, kinetic, thermodynamic, and hydrogen storage properties of XFeH3 (X=Ca, Sr, Ba) perovskites for hydrogen storage applications: First-principle calculations
Ruijie Song, Nanlin Xu, Yan Chen, Shanjun Chen, Jingyi Zhang, Wei Dai, Weibin Zhang
Topics & Concepts
Hydrogen storageMaterials scienceHydrideFerromagnetismHydrogenThermodynamicsBulk modulusPhononLattice constantBrittlenessMetalCondensed matter physicsComposite materialChemistryMetallurgyPhysicsDiffractionOrganic chemistryAlloyOpticsHydrogen Storage and MaterialsMagnesium Alloys: Properties and ApplicationsMXene and MAX Phase Materials