Computational design of CsBaX3 halide perovskites for thermophysical, hydrogen storage and optoelectronic functionality
Anqi Li, Wahidullah Khan, Rania Charif, M. Kashif Masood, Qiong Peng, Javed Rehman
Topics & Concepts
HalideHydrogen storageMaterials scienceDensity functional theoryHydrogen halideHydrideHydrogenOptoelectronicsSemiconductorDesorptionBand gapLattice constantGravimetric analysisAbsorption (acoustics)Wide-bandgap semiconductorMagnesium hydrideLithium hydrideUltravioletChemical stabilityInorganic chemistryAbsorption spectroscopyElectronic structurePerovskite (structure)Optical storageAnalytical Chemistry (journal)NanotechnologyAcceptorPerovskite Materials and ApplicationsLuminescence Properties of Advanced MaterialsSolid-state spectroscopy and crystallography