Efficient hydrogen storage in KCaF3 using GGA and HSE approach
Seerat Fatima, Muhammad Rizwan, Hafiz Muhammad Naeem Ullah, S.S. Ali, Hamza Naeem, Zahid Usman
Topics & Concepts
Hydrogen storageBand gapDensity functional theoryLattice constantHydrideMaterials scienceHydrogenBulk modulusCondensed matter physicsAbsorption edgeChemistryComputational chemistryOptoelectronicsOpticsPhysicsDiffractionComposite materialOrganic chemistryInorganic Fluorides and Related CompoundsInorganic Chemistry and MaterialsHydrogen Storage and Materials