Advancements in bandgap engineering: bromide-doped cesium lead perovskite thin films

Abstract Perovskite materials have emerged as promising candidates for next-generation photovoltaic devices due to their unique optoelectronic properties. In this study, we investigate the incorporation of bromine into cesium lead mixed iodide and bromide perovskites (CsPbI 3(1-x) Br 3x ) to enhance their performance. By depositing films with varying bromine concentrations ( x = 0, 0.25, 0.5, 0.75), we employ a combination of structural and optical characterization techniques, including X-ray diffraction (XRD), scanning electron microscopy (SEM), UV–visible spectroscopy, and photoluminescence. Our analysis reveals that introducing bromine leads to structural modifications, influencing the perovskite films’ optical properties and energy gap. Specifically, we observe semiconductor behavior with a tunable energy gap controlled by the intercalation of bromine atoms into the CsPbI 3 lattice. Furthermore, heat treatment induces phase transitions in the perovskite films, affecting their optical responses and crystalline quality. SCAPS-1D simulations confirm the improved stability and efficiency of bromine-doped CsPbI 3 films compared to undoped counterparts. Our findings demonstrate that bromine incorporation facilitates the formation of highly crystalline perovskite films with reduced trap defects and enhanced carrier transport properties. These results underscore the potential of bromine-doped CsPbI 3 perovskites as promising materials for high-performance photovoltaic applications, paving the way for further optimization and device integration.