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<p>In this study, a novel architecture for kesterite-based thin-film solar cells is numerically investigated using the one-dimensional solar cell capacitance simulator (SCAPS-1D) simulation tool. The traditional Cu<sub>2</sub>ZnSn(S,Se)<sub>4</sub> (CZTSSe) absorber is augmented by a bilayer CZTSSe/Si structure. At the same time, the conventional toxic cadmium sulfide (CdS) buffer layer is replaced with environmentally benign and earth-abundant transition metal dichalcogenides (TMDCs), specifically zirconium disulfide (ZrS<sub>2</sub>), molybdenum disulfide (MoS<sub>2</sub>), and tungsten disulfide (WS<sub>2</sub>). This bilayer absorber configuration enhances light absorption and facilitates superior band alignment at the heterojunction, thereby effectively improving charge separation and reducing carrier recombination. TMDC buffer layers provide favorable conduction and valence band offsets with CZTSSe, thereby enhancing interface passivation and minimizing energy losses at the junction. Optimization of the absorber and buffer layer thicknesses, as well as doping concentrations in both p-type and n-type regions, reveals significant enhancements in device performance. Notably, the improved band alignment and reduced recombination at the interfaces contribute to a marked increase in open-circuit voltage (<i>V</i><sub>oc</sub>), exceeding 0.737 V, thereby addressing the long-standing <i>V</i><sub>oc</sub> deficit in CZTS-based devices. The optimized configurations yield power conversion efficiencies of 21.60%, 22.18%, 23.03%, and 23.94% for the CdS/CZTSSe/Si/Mo, ZrS<sub>2</sub>/CZTSSe/Si/Mo, MoS<sub>2</sub>/CZTSSe/Si/Mo, and WS<sub>2</sub>/CZTSSe/Si/Mo, respectively. The findings of this work present a promising pathway toward the development of high-performance, cost-effective, and eco-friendly CZTSSe thin-film solar cells, paving the way for sustainable next-generation photovoltaic technologies.</p>

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Numerical analysis of high-efficiency kesterite thin-film solar cells incorporating bilayer CZTSSe/Si absorbers and TMDC-based buffer layers

  • 期刊论文

  • 发表日期：

    2026年3月6日

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  • Abdelkader Nassour,
  • Malika Kandouci,
  • Ziad Abu Waar,
  • Mohamed Moustafa

摘要

In this study, a novel architecture for kesterite-based thin-film solar cells is numerically investigated using the one-dimensional solar cell capacitance simulator (SCAPS-1D) simulation tool. The traditional Cu2ZnSn(S,Se)4 (CZTSSe) absorber is augmented by a bilayer CZTSSe/Si structure. At the same time, the conventional toxic cadmium sulfide (CdS) buffer layer is replaced with environmentally benign and earth-abundant transition metal dichalcogenides (TMDCs), specifically zirconium disulfide (ZrS2), molybdenum disulfide (MoS2), and tungsten disulfide (WS2). This bilayer absorber configuration enhances light absorption and facilitates superior band alignment at the heterojunction, thereby effectively improving charge separation and reducing carrier recombination. TMDC buffer layers provide favorable conduction and valence band offsets with CZTSSe, thereby enhancing interface passivation and minimizing energy losses at the junction. Optimization of the absorber and buffer layer thicknesses, as well as doping concentrations in both p-type and n-type regions, reveals significant enhancements in device performance. Notably, the improved band alignment and reduced recombination at the interfaces contribute to a marked increase in open-circuit voltage (Voc), exceeding 0.737 V, thereby addressing the long-standing Voc deficit in CZTS-based devices. The optimized configurations yield power conversion efficiencies of 21.60%, 22.18%, 23.03%, and 23.94% for the CdS/CZTSSe/Si/Mo, ZrS2/CZTSSe/Si/Mo, MoS2/CZTSSe/Si/Mo, and WS2/CZTSSe/Si/Mo, respectively. The findings of this work present a promising pathway toward the development of high-performance, cost-effective, and eco-friendly CZTSSe thin-film solar cells, paving the way for sustainable next-generation photovoltaic technologies.