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<p>Inverted perovskite solar cells are one of the most promising technologies for the next generation of photovoltaics, due to excellent stability and a relatively simple fabrication process. Nevertheless, attaining high efficiency remains a challenge in integrating appropriate materials for HTL and an absorber layer. This work focuses on SCAPS-1D simulations to optimize the design of inverted PSCs using NiO as the HTL and a mixed-cation perovskite, MA₀.₄FA₀.₆PbI₃, as an absorber. By employing a controlled variable method, the thickness of the absorber layer was optimized within the range of 300&#xa0;nm to 900&#xa0;nm. The optimal performance was achieved when the absorber layer thickness was 600&#xa0;nm, and the NiO layer exhibited the best performance at a thickness of 50&#xa0;nm. Simulation results indicate that, under the condition of a 600&#xa0;nm absorber layer and a 50&#xa0;nm NiO hole transport layer, the solar cell can achieve a maximum power conversion efficiency (PCE) of 21.56%, based on reduced defect density and enhanced hole mobility. The study also shows the asymmetric effect of interface defect layers on device performance and points out the critical need for defect density control. These findings provide important insights into the optimization of inverted PSC architectures and offer a pathway toward scalable, high-efficiency photovoltaic technologies.</p>

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Optimization of inverted perovskite solar cells: simulation insights into NiO and mixed-cation integration for enhanced efficiency

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年6月10日

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  • Bo Yao,
  • Hairul Mardiah Hamzah,
  • Sharifah Fatmadiana Bt Wan Muhammad Hatta,
  • Faiz Arith,
  • Mohammad Nur-E-Alam,
  • Mohammad Aminul Islam

摘要

Inverted perovskite solar cells are one of the most promising technologies for the next generation of photovoltaics, due to excellent stability and a relatively simple fabrication process. Nevertheless, attaining high efficiency remains a challenge in integrating appropriate materials for HTL and an absorber layer. This work focuses on SCAPS-1D simulations to optimize the design of inverted PSCs using NiO as the HTL and a mixed-cation perovskite, MA₀.₄FA₀.₆PbI₃, as an absorber. By employing a controlled variable method, the thickness of the absorber layer was optimized within the range of 300 nm to 900 nm. The optimal performance was achieved when the absorber layer thickness was 600 nm, and the NiO layer exhibited the best performance at a thickness of 50 nm. Simulation results indicate that, under the condition of a 600 nm absorber layer and a 50 nm NiO hole transport layer, the solar cell can achieve a maximum power conversion efficiency (PCE) of 21.56%, based on reduced defect density and enhanced hole mobility. The study also shows the asymmetric effect of interface defect layers on device performance and points out the critical need for defect density control. These findings provide important insights into the optimization of inverted PSC architectures and offer a pathway toward scalable, high-efficiency photovoltaic technologies.