Effect of electronic alteration on hydrogen storage and optical response in NaMgF3 using DFT approach
Muhammad Rizwan, Hafiz Muhammad Naeem Ullah, Zahid Usman, Muhammad Waseem Yasin, Qasim Ali, S.S. Ali, S.S. Ali
Topics & Concepts
Hydrogen storageCASTEPDensity functional theoryHydrogenHydrideBand gapOrthosilicateChemistryMaterials scienceComputational chemistryNanotechnologyOptoelectronicsOrganic chemistryTetraethyl orthosilicateThermal Expansion and Ionic ConductivityPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic properties