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<p>This study presents a sustainable approach towards high-efficiency, lead-free perovskite solar cells (PSCs) using the germanium-based absorber CsGeI<sub>3−x</sub>Brₓ, investigated through SCAPS-1D numerical modeling tool with ZnO and Cu<sub>2</sub>O as the electron and hole transport layers, respectively. Bandgap grading was employed to tailor electronic properties and enhance spectral utilization. Two grading schemes- linear and parabolic were analyzed, yielding simulated peak PCEs of 33.40% and 35.06%, respectively, with the parabolic profile exhibiting superior performance. Optimal results were obtained for bromine composition, x = 0 with an absorber thickness of 1400–2000&#xa0;nm for linear grading, while parabolic grading showed maximum performance at a bowing factor of <i>b</i> = 1. The effects of temperature and parasitic resistances were also examined. Furthermore, a systematic screening of ETLs (ZnO, PCBM, WS<sub>2</sub>, SnO<sub>2</sub>, IGZO, and C<sub>60</sub>) and HTLs (Cu<sub>2</sub>O, CBTS, CFTS, CuO, CuI, and CuSCN) was performed to optimize device architecture. Among these, IGZO emerged as the most suitable ETL, while Cu<sub>2</sub>O, CuI, and CuSCN showed favorable performance as HTLs. The optimized configurations yielded a simulated PCE ≈ 35.10%, Voc ≈ 1.32&#xa0;V, Jsc ≈ 31.85&#xa0;mA/cm<sup>2</sup>, and FF ≈ 83.51%. These results represent theoretical performance limits and provide design insights for bandgap-engineered, lead-free perovskite solar cells.</p>

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Compositional bandgap grading and material optimization in bromine-alloyed CsGeI3 perovskite solar cells for enhanced photovoltaic performance: a numerical study

  • 期刊论文

  • 发表日期：

    2026年5月12日

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  • Shazia Akhtar Dar,
  • Brajendra Singh Sengar

摘要

This study presents a sustainable approach towards high-efficiency, lead-free perovskite solar cells (PSCs) using the germanium-based absorber CsGeI3−xBrₓ, investigated through SCAPS-1D numerical modeling tool with ZnO and Cu2O as the electron and hole transport layers, respectively. Bandgap grading was employed to tailor electronic properties and enhance spectral utilization. Two grading schemes- linear and parabolic were analyzed, yielding simulated peak PCEs of 33.40% and 35.06%, respectively, with the parabolic profile exhibiting superior performance. Optimal results were obtained for bromine composition, x = 0 with an absorber thickness of 1400–2000 nm for linear grading, while parabolic grading showed maximum performance at a bowing factor of b = 1. The effects of temperature and parasitic resistances were also examined. Furthermore, a systematic screening of ETLs (ZnO, PCBM, WS2, SnO2, IGZO, and C60) and HTLs (Cu2O, CBTS, CFTS, CuO, CuI, and CuSCN) was performed to optimize device architecture. Among these, IGZO emerged as the most suitable ETL, while Cu2O, CuI, and CuSCN showed favorable performance as HTLs. The optimized configurations yielded a simulated PCE ≈ 35.10%, Voc ≈ 1.32 V, Jsc ≈ 31.85 mA/cm2, and FF ≈ 83.51%. These results represent theoretical performance limits and provide design insights for bandgap-engineered, lead-free perovskite solar cells.