Theoretical approach to study hydrogen storage properties of MgH2 nanoclusters: Crucial role of hydrogen kinetics
Maryem EL Hayany, Majid EL Kassaoui, Abdelilah Benyoussef, Jean-Michel Nunzi, Omar Mounkachi
Topics & Concepts
Hydrogen storageNanoclustersMagnesium hydrideDehydrogenationHydrogenHydrideDesorptionMaterials scienceDensity functional theoryChemical physicsHydrogen fuelNanostructureMolecular dynamicsHydrogen economyChemical engineeringActivation energyAb initioEnergy storagePhysical chemistryNanoscopic scaleNanotechnologyBinding energyMagnesiumDiffusionAb initio quantum chemistry methodsChemistryThermodynamicsDecompositionComputational chemistryKineticsAdsorptionEnergetic materialHydrogen Storage and MaterialsMagnesium Alloys: Properties and ApplicationsHybrid Renewable Energy Systems