Role of halide substitution in K2SiX6 (X = F, cl, Br) perovskites: first-principles insights for sustainable solar cell materials
Md. Ferdous Rahman, Sirat-E-Azmin Shifa, Tanvir Al Galib, Ahmad Irfan, Aijaz Rasool Chaudhry, Md Atikur Rahman, Faruk Hossain
Topics & Concepts
HalideBand gapPerovskite (structure)ChemistryDielectricSolar cellPhononChemical physicsPhase (matter)Direct and indirect band gapsOptoelectronicsChemical stabilityStructural stabilityWide-bandgap semiconductorPerovskite solar cellPhase transitionVisible spectrumSolar cell efficiencyCondensed matter physicsElectronic band structureInfraredSpectral lineSubstitution (logic)PhotovoltaicsElectronic structureDensity functional theoryNanotechnologySolar energyAtomic electron transitionComputational chemistryMolecular physicsPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography