Computational evaluation of KMgO3-xHx as an efficient hydrogen storage material
Muhammad Abaid Ullah, Khalid Nadeem Riaz, Muhammad Rizwan
Topics & Concepts
Density functional theoryDopantHydrogen storageMaterials scienceBand gapCASTEPHydrideDirect and indirect band gapsSemiconductorRietveld refinementComputational chemistryDopingOptoelectronicsChemistryCrystallographyCrystal structureComposite materialMetallurgyMetalAlloyHydrogen Storage and MaterialsMXene and MAX Phase MaterialsInorganic Chemistry and Materials