Investigation of structural, phonon, thermodynamic, electronic, and mechanical properties of non-toxic XZnH3 (X = Li, Na, K) perovskites for solid-state hydrogen storage: A DFT and AIMD approach
Marouane Archi, Omar Bajjou, Khalid Rahmani, Benachir Elhadadi
Topics & Concepts
Hydrogen storagePhononMaterials scienceHydrogenSolid-stateThermodynamicsCondensed matter physicsPhysical chemistryChemistryPhysicsOrganic chemistryHydrogen Storage and MaterialsThermal Expansion and Ionic ConductivityAdvanced Battery Materials and Technologies