Ab Initio Study of the Effects of d-Block Metal (Mn, Re, Tc) Encapsulation on the Electronic, Phonon, Thermodynamic, and Gravimetric Hydrogen Capacity of BaXH4 Hydride Perovskites
Eno Ededet, Hitler Louis, Udochukwu G. Chukwu, Thomas O. Magu, Aniema E. Udo, Stephen A. Adalikwu, Adedapo S. Adeyinka
Topics & Concepts
HydrideGravimetric analysisSolid-state physicsAb initioHydrogenHydrogen storagePhononChemistryMetalPhysical chemistryThermodynamicsAb initio quantum chemistry methodsEncapsulation (networking)Materials scienceCondensed matter physicsMoleculePhysicsOrganic chemistryComputer scienceComputer networkThermal Expansion and Ionic ConductivityMagnetic and transport properties of perovskites and related materialsHydrogen Storage and Materials