A first-principle study of the stability and electronic properties of halide inorganic double perovskite Cs2PbX6 (X = Cl,I) for solar cell application
Ibrahim Al-Lehyani
Abstract
The problem of lead toxicity in perovskites materials that are currently performing with the most efficiency can be partially solved by choosing double perovskites compounds Cs2PbX6 (X = Cl,I), which have considerably reduced lead contents. These materials are slightly more stable, and substituting Cl and I with Br in small percentages further improves their mechanical stability and electronic properties. In this study, the properties of these promising materials were investigated in their pure and mixed forms.
Topics & Concepts
ChemistryHalidePerovskite (structure)Solar cellStability (learning theory)Inorganic chemistryPerovskite solar cellElectronic structureChemical engineeringComputational chemistryCrystallographyOptoelectronicsMachine learningEngineeringPhysicsComputer sciencePerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography