A DFT study for physical properties and hydrogen storage capability of indium-based hydride perovskites XInH3 (X = Li, K) for hydrogen storage application
Shabana Mehar Deen, Muhammad Usman, Jalil Ur Rehman, Syed Mansoor Ali, Mubasher Ali
Topics & Concepts
CASTEPHydrogen storageHydrideDensity functional theoryMaterials scienceBand gapHydrogenIndiumGravimetric analysisLattice constantPhysical chemistryMetalChemistryComputational chemistryOptoelectronicsMetallurgyOpticsOrganic chemistryPhysicsDiffractionHydrogen Storage and MaterialsThermal Expansion and Ionic ConductivityAdvanced Battery Materials and Technologies