Role of vacancy defects on the dehydrogenation properties of the ternary hydride ZrNiH3: Ab-initio insights
Mourad Rkhis, Rania Anoua, Amine Alaoui‐Belghiti, Said Laasri, Samira Touhtouh, E.K. Hlil, M. Bououdina, K. Zaïdat, S. Obbade, Abdеlowahеd Hajjaji
Topics & Concepts
Vacancy defectMaterials scienceDensity functional theoryZirconiumNickelHydrideEnthalpyCrystallographyComputational chemistryChemistryThermodynamicsMetalMetallurgyPhysicsHydrogen Storage and MaterialsHybrid Renewable Energy SystemsAmmonia Synthesis and Nitrogen Reduction