Lead-free Iron-doped CsBiBr Perovskite with Tunable Properties

Perovskite based on cesium bismuth bromide offers a compelling, non-toxic alternative to lead-containing counterparts in optoelectronic applications. However, its widespread usage is hindered by its wide bandgap. This study investigates a significant bandgap tunability achieved by introducing Fe doping into the inorganic, lead-free, non-toxic, and stable CsBiBr perovskite at varying concentrations. The materials were synthesized using a facile method, with the aim of tuning the optoelectronic properties of the perovskite materials. Characterization through techniques such as X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy, energy dispersive spectroscopy (EDS), and UV-vis spectroscopy was conducted to elucidate the transformation mechanism of the doping materials. The substitution process results in a significant change in the bandgap energy, transforming from the pristine CsBiBr with a bandgap of 2.54 eV to 1.78 eV upon 70% Fe doping. The addition of 50% Fe in CsBiBr leads to the formation of the orthorhombic structure in Cs(Bi,Fe)Br perovskite, while complete Fe alloying at 100% results in the phase formation of CsFeBr perovskite. Our findings on regulation of bandgap energy and crystal structure through B site substitution hold significant promise for applications in optoelectronics.