Enhancement of hydrogen storage characteristics of Na2CaH4 hydrides by introducing the Mg and Be dopant: A first-principles study
Mubashar Ali, Zunaira Bibi, M.W. Younis, Kashif Majeed, Usama Afzal, Saeed Ahmed Khan, Nouf H. Alotaibi, Muhammad Mubashir
Topics & Concepts
DopantHydrogen storageHydrideHydrogenGravimetric analysisDopingMaterials scienceBand gapAdsorptionMoleculePhysical chemistryChemical physicsComputational chemistryChemical engineeringChemistryOptoelectronicsOrganic chemistryEngineeringHydrogen Storage and MaterialsAmmonia Synthesis and Nitrogen ReductionMXene and MAX Phase Materials