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<p>Copper indium gallium selenium (Cu(In, Ga)Se<sub>2</sub>, CIGS) thin-film solar cells have garnered significant attention as a promising solution to address the global energy crisis. However, the conventional cadmium sulfide (CdS) buffer layer presents inherent limitations, including optical absorption losses in the short-wavelength spectrum and environmental toxicity concerns. This study systematically evaluates three eco-friendly wide-bandgap alternatives, such as gallium selenide (Ga<sub>2</sub>Se<sub>3</sub>), zinc magnesium oxide (Zn<sub>0.8</sub>Mg<sub>0.2</sub>O), and zinc oxysulfide (Zn(O, S)), through comprehensive numerical simulations using SCAPS-1D. Initial comparative analysis reveals that Zn<sub>0.8</sub>Mg<sub>0.2</sub>O and Zn(O, S) demonstrate superior interfacial properties, particularly through their favorable conduction band alignment that effectively minimizes carrier recombination barriers at the buffer/absorber interface. Extended parametric studies on buffer layer thickness, operating temperature, doping concentration, sulfur composition in Zn(O, S), and the gallium ratio (Ga/(Ga + In)) in CIGS further establish Zn(O, S) as the most promising candidate. Optimized devices with Zn(O, S) buffers achieve enhanced carrier collection efficiency owing to their optimal band alignment and reduced interface defect states. This computational investigation provides critical insights for developing high-performance, cadmium-free CIGS photovoltaic devices through buffer layer engineering.</p>

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Numerical simulation and buffer layer optimization for Cd-free Cu(In, Ga)Se2 solar cells using SCAPS-1D

  • 期刊论文

  • 发表日期：

    2025年8月20日

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  • Keshun Nie,
  • Yiran Liang,
  • Xin Chen,
  • Yunxiang Zhang,
  • Jian Wang,
  • Chenliang Zhou,
  • Zhongjie Wang,
  • Diab Khalafallah,
  • Wei Liu,
  • Qinfang Zhang

摘要

Copper indium gallium selenium (Cu(In, Ga)Se2, CIGS) thin-film solar cells have garnered significant attention as a promising solution to address the global energy crisis. However, the conventional cadmium sulfide (CdS) buffer layer presents inherent limitations, including optical absorption losses in the short-wavelength spectrum and environmental toxicity concerns. This study systematically evaluates three eco-friendly wide-bandgap alternatives, such as gallium selenide (Ga2Se3), zinc magnesium oxide (Zn0.8Mg0.2O), and zinc oxysulfide (Zn(O, S)), through comprehensive numerical simulations using SCAPS-1D. Initial comparative analysis reveals that Zn0.8Mg0.2O and Zn(O, S) demonstrate superior interfacial properties, particularly through their favorable conduction band alignment that effectively minimizes carrier recombination barriers at the buffer/absorber interface. Extended parametric studies on buffer layer thickness, operating temperature, doping concentration, sulfur composition in Zn(O, S), and the gallium ratio (Ga/(Ga + In)) in CIGS further establish Zn(O, S) as the most promising candidate. Optimized devices with Zn(O, S) buffers achieve enhanced carrier collection efficiency owing to their optimal band alignment and reduced interface defect states. This computational investigation provides critical insights for developing high-performance, cadmium-free CIGS photovoltaic devices through buffer layer engineering.