Role of Mg, Ca, and Mo in NaBH4 systems for hydrogen storage applications: Ab initio study
Ikram Belkoufa, B. Misski, Amine Alaoui‐Belghiti, Mohamed Mouyane, David Houivet, Said Laasri, E.K. Hlil, Abdеlowahеd Hajjaji
Topics & Concepts
DehydrogenationHydrogen storageHydrideDensity functional theoryAb initioHydrogenTransition metalChemistryThermodynamicsPhysical chemistryMaterials scienceDopingComputational chemistryCrystallographyCatalysisOrganic chemistryPhysicsOptoelectronicsHydrogen Storage and MaterialsSuperconductivity in MgB2 and AlloysAmmonia Synthesis and Nitrogen Reduction