Structural, Electronic, and Optical Properties of Ga-Based Lead-Free Mixed-Halide Perovskites Cs3GaI6-xBrx (0 ≤ x ≤ 6) for Solar Cell Applications: A DFT Study
Hussain Ahmed, Surayya Mukhtar, Simeon Agathopoulos, Syed Zafar Ilyas
Topics & Concepts
CASTEPHalidePerovskite (structure)Density functional theoryMaterials scienceSolar cellBand gapOptoelectronicsChemistryComputational chemistryCrystallographyInorganic chemistryPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyChalcogenide Semiconductor Thin Films