Highly Stable CsPbBr ₃ @MoS ₂ Nanostructures: Synthesis and Optoelectronic Properties Toward Implementation into Solar Cells

Abstract Halide perovskites (HPs) have gained significant interest in the scientific and technological sectors due to their unique optical, catalytic, and electrical characteristics. However, the HPs are prone to decomposition when exposed to air, oxygen, or heat. The instability of HP materials limits their commercialization, prompting significant efforts to address and overcome these limitations. Transition metal dichalcogenides, such as MoS ₂ , are chemically stable and are suitable for electronic, optical, and catalytic applications. Moreover, it can be used as a protective media or shell for other nanoparticles. In this study, a novel CsPbBr ₃ @MoS ₂ core–shell nanostructure (CS‐NS) is successfully synthesized by enveloping CsPbBr ₃ within a MoS ₂ shell for the first time. Significant stability of CS‐NSs dispersed in polar solvents for extended periods is also demonstrated. Remarkably, the hybrid CS‐NS exhibits an absorption of MoS ₂ and quenching of the HP's photoluminescence, implying potential charge or energy transfer from HPs to MoS ₂ . Using finite difference time domain simulations, it is found that the CS‐NSs can be utilized to produce efficient solar cells. The addition of a MoS ₂ shell enhances the performance of CS‐NS‐based solar cells by 220% compared to their CsPbBr ₃ counterparts. The innovative CS‐NS represents important progress in harnessing HPs for photovoltaic and optoelectronic applications.