Experimental and Theoretical Investigation of the Structural and Opto-electronic Properties of Fe-Doped Lead-Free Cs2 AgBiCl6 Double Perovskite.
Sachin ThawarkarSachin R RondiyaNelson Y DzadeNageshwar KhupseSandesh R JadkarPublished in: Chemistry (Weinheim an der Bergstrasse, Germany) (2021)
Lead-free double perovskites have emerged as stable and non-toxic alternatives to Pb-halide perovskites. Herein, the synthesis of Fe-doped Cs2 AgBiCl6 lead-free double perovskites are reported that display blue emission using an antisolvent method. The crystal structure, morphology, optical properties, band structure, and stability of the Fe-doped double perovskites were investigated systematically. Formation of the Fe-doped Cs2 AgBiCl6 double perovskite is confirmed by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analysis. XRD and thermo-gravimetric analysis (TGA) shows that the Cs2 AgBiCl6 double perovskite has high structural and thermal stability, respectively. Field emission scanning electron microscopy (FE-SEM) analysis revealed the formation of dipyramidal shape Cs2 AgBiCl6 crystals. Furthermore, energy-dispersive X-ray spectroscopy (EDS) mapping shows the overlapping of Cs, Bi, Ag, Fe, and Cl elements and homogenous incorporation of Fe in Cs2 AgBiCl6 double perovskite. The Fe-doped Cs2 AgBiCl6 double perovskite shows a strong absorption at 380 nm. It extends up to 700 nm, suggesting that sub-band gap states transition may originate from the surface defect of the doped perovskite material. The radiative kinetics of the crystals was studied using the time-correlated single-photon counting (TCSPC) technique. Lattice parameters and band gap value of the Fe-doped Cs2 AgBiCl6 double perovskites predicted by the density functional theory (DFT) calculations are confirmed by XRD and UV/Visible spectroscopy analysis. Time-dependent photo-response characteristics of the Fe-doped Cs2 AgBiCl6 double perovskite show fast response and recovery time of charge carriers. We believe that the successful incorporation of Fe in lead-free, environmentally friendly Cs2 AgBiCl6 double perovskite can open a new class of doped double perovskites with significant potential optoelectronics devices fabrication and photocatalytic applications.
Keyphrases
- visible light
- metal organic framework
- solar cells
- quantum dots
- room temperature
- high resolution
- highly efficient
- density functional theory
- electron microscopy
- aqueous solution
- high efficiency
- mass spectrometry
- magnetic resonance
- single cell
- magnetic resonance imaging
- ionic liquid
- gold nanoparticles
- climate change
- heavy metals
- reduced graphene oxide
- dual energy