Structural and compositional properties of 2D CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> hybrid halide perovskite: a DFT study
Sandip R. Kumavat, Geeta Sachdeva, Yogesh Sonvane, Sanjeev K. Gupta
Abstract
We have studied 2D CH 3 NH 3 PbI 3 and its multilayer halide perovskites. These systems have a high formation energy. The optical properties absorption spectra lie between 248 nm to 496 nm with an absorption coefficient of about 10 5 cm −1 .
Topics & Concepts
HalidePerovskite (structure)Materials scienceBand gapAbsorption (acoustics)Density functional theoryAttenuation coefficientPhotoactive layerAbsorption spectroscopyUltravioletOptoelectronicsLayer (electronics)ChemistryOpticsComputational chemistryCrystallographyEnergy conversion efficiencyInorganic chemistryNanotechnologyPolymer solar cellComposite materialPhysicsPerovskite Materials and Applications2D Materials and ApplicationsQuantum Dots Synthesis And Properties