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<p>Cu₂ZnSn(S,Se)₄ (CZTSSe) thin-film solar cells are promising for sustainable photovoltaics owing to their earth-abundant and environmentally benign elements. However, their efficiencies remain limited by suboptimal absorber composition and recombination losses. Selenium (Se) incorporation in the kesterite lattice strongly influences the bandgap, defect states, and charge transport, making its optimization essential for performance enhancement. In this study, CdS/CZTSSe heterojunction solar cells were fabricated with varying Se/S ratios, and their performance was systematically investigated through a combined experimental and numerical approach. Thin films were prepared by selenization of metal precursors, and structural analysis confirmed phase-pure kesterite formation with lattice expansion as Se replaced S. Optical absorption measurements revealed bandgap tunability from 1.65&#xa0;eV (S-rich) to 1.05&#xa0;eV (Se-rich), while photoluminescence showed corresponding emission shifts. Device measurements demonstrated a trade-off between open-circuit voltage (<i>V</i><sub>oc</sub>) and short-circuit current density (<i>J</i><sub>sc</sub>). S-rich devices exhibited higher <i>V</i><sub>oc</sub> (~ 610&#xa0;mV) but lower <i>J</i><sub>sc</sub> (~ 18&#xa0;mA/cm<sup>2</sup>), while Se-rich devices achieved higher <i>J</i><sub>sc</sub> (~ 33&#xa0;mA/cm<sup>2</sup>) but reduced <i>V</i><sub>oc</sub> (~ 380&#xa0;mV). Numerical simulations using SCAPS-1D validated these trends, highlighting that Se-rich absorbers require reduced defect density and improved CdS/CZTSSe interface quality to suppress recombination. This combined experimental–numerical investigation underscores selenium quantity optimization as a critical strategy for balancing <i>V</i><sub>oc</sub>–<i>J</i><sub>sc</sub> trade-offs and advancing CdS/CZTSSe thin-film photovoltaics toward higher efficiency and commercial viability.</p>

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Experimental and numerical investigation of selenium incorporation in CdS/CZTSSe thin-film photovoltaics for efficiency optimization

  • 期刊论文

  • 发表日期：

    2026年4月10日

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  • Manas Nayak,
  • Indu Gupta,
  • Rahul Jain

摘要

Cu₂ZnSn(S,Se)₄ (CZTSSe) thin-film solar cells are promising for sustainable photovoltaics owing to their earth-abundant and environmentally benign elements. However, their efficiencies remain limited by suboptimal absorber composition and recombination losses. Selenium (Se) incorporation in the kesterite lattice strongly influences the bandgap, defect states, and charge transport, making its optimization essential for performance enhancement. In this study, CdS/CZTSSe heterojunction solar cells were fabricated with varying Se/S ratios, and their performance was systematically investigated through a combined experimental and numerical approach. Thin films were prepared by selenization of metal precursors, and structural analysis confirmed phase-pure kesterite formation with lattice expansion as Se replaced S. Optical absorption measurements revealed bandgap tunability from 1.65 eV (S-rich) to 1.05 eV (Se-rich), while photoluminescence showed corresponding emission shifts. Device measurements demonstrated a trade-off between open-circuit voltage (Voc) and short-circuit current density (Jsc). S-rich devices exhibited higher Voc (~ 610 mV) but lower Jsc (~ 18 mA/cm2), while Se-rich devices achieved higher Jsc (~ 33 mA/cm2) but reduced Voc (~ 380 mV). Numerical simulations using SCAPS-1D validated these trends, highlighting that Se-rich absorbers require reduced defect density and improved CdS/CZTSSe interface quality to suppress recombination. This combined experimental–numerical investigation underscores selenium quantity optimization as a critical strategy for balancing Voc–Jsc trade-offs and advancing CdS/CZTSSe thin-film photovoltaics toward higher efficiency and commercial viability.