First-principles study on the structure, mechanical, electrical, optical, kinetic, thermodynamic and hydrogen storage properties of the hydride perovskites XScH3 (X = K, Rb, Cs) for hydrogen storage applications
Nanlin Xu, Ruijie Song, Shanjun Chen, Yan Chen, Li Song, Zaifu Jiang, Weibin Zhang
Topics & Concepts
Hydrogen storageHydrideHydrogenKinetic energyMaterials scienceComputer data storageThermodynamicsChemistryComputer sciencePhysicsOrganic chemistryOperating systemQuantum mechanicsHydrogen Storage and MaterialsThermal Expansion and Ionic ConductivityNuclear Materials and Properties