New insights into the electrochemical and thermodynamic properties of AB-type ZrNi hydrogen storage alloys by native defects and H-doping: Computational experiments
Mourad Rkhis, Said Laasri, Samira Touhtouh, E.K. Hlil, K. Zaïdat, S. Obbade, Abdеlowahеd Hajjaji
Topics & Concepts
Hydrogen storageElectrochemistryHydrideDopingHydrogenAlloyNickelMaterials scienceMetalDecompositionCoherent potential approximationDensity functional theoryExchange current densityThermodynamicsChemistryPhysical chemistryElectrodeComputational chemistryElectronic structureMetallurgyTafel equationOrganic chemistryPhysicsOptoelectronicsHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionNuclear Materials and Properties