Investigation SrLiF3-xHx perovskites through ion replacement mechanism for advance solid hydrogen storage systems: A prediction through DFT-based calculations
Aqsa Manzoor, Muhammad Abaid Ullah, Muhammad Waseem Yasin, S.S.A. Gillani, Mujtaba Ikram, Muhammad Rizwan
Topics & Concepts
CASTEPHydrogen storageHydrogenIonic bondingMaterials sciencePerovskite (structure)BrittlenessDensity functional theoryBand gapGravimetric analysisChemical physicsChemistryIonComputational chemistryCrystallographyMetallurgyOrganic chemistryOptoelectronicsHydrogen Storage and MaterialsInorganic Chemistry and MaterialsThermal Expansion and Ionic Conductivity