This study investigates the optimization of CZTS-based thin-film solar cells through the incorporation of MoS2 as an interfacial layer. Using SCAPS-1D simulation software, we analyzed the effects of layer thicknesses, carrier concentrations, and defect densities on device performance. The optimized CZTS (100 nm)/ MoS2(1000 nm)/ CdS(100 nm)/ ZnO(50 nm) structure demonstrated a significant efficiency increase to 19.01 % compared to 17.03 % for the CZTS (1100 nm)/ CdS(100 nm)/ ZnO(50 nm) cell. Key improvements include enhanced charge generation, quantum efficiency, and balanced carrier transport.Materials were synthesized using microwave-assisted methods and characterized by XRD and UV–vis spectroscopy. XRD confirmed the desired crystal structures, while optical bandgaps of 1.5 eV (CZTS), 1.3 eV (MoS2), 2.4 eV (CdS), and 3.3 eV (ZnO) were determined. Practical solar cells were fabricated using spin-coating techniques, with thicknesses of CZTS (122 nm)/ MoS2 (1038 nm)/ CdS(130 nm)/ ZnO(94 nm). While showing improved performance with the MoS2 layer, efficiencies were lower than simulated values due to fabrication-related defects. The best experimental cell achieved 1.89 % efficiency, compared to 1.38 % without MoS2.This research demonstrates the potential of MoS2 as an effective interfacial layer in CZTS solar cells, providing insights into optimizing layer properties for enhanced performance. The study also highlights the challenges in translating simulated improvements to practical devices, emphasizing the need for advanced fabrication techniques to minimize defects and maximize efficiency.
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