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<p>This work presents a comprehensive numerical investigation of Cs<sub>x</sub>FA<sub>1−x</sub>PbI<sub>3</sub> -based perovskite solar cells (PSCs) using the SCAPS-1D simulation tool to optimize key design parameters influencing device efficiency and stability. The simulation model was validated against experimental data, showing excellent agreement with a power conversion efficiency (PCE) of 11.8%. Parametric analysis revealed that absorber thickness and defect density critically influence performance, with an optimal thickness of 1000–1200&#xa0;nm ensuring efficient light absorption and charge collection. Comparative evaluation of electron and hole transport layers (ETLs and HTLs) demonstrated that the C<sub>60</sub>/NiO combination delivers superior photovoltaic performance, achieving a PCE of 18.26%, due to favorable band alignment and efficient charge extraction. An HTL-free architecture incorporating a 30&#xa0;nm phenethylammonium iodide (PEAI) interlayer was further investigated to enhance interfacial stability. The optimized HTL-free structure achieved a Voc of 1.36&#xa0;V, J<sub>SC</sub> of 20.7&#xa0;mA·cm⁻², FF of 71.89%, and a PCE of 20.36% at 300&#xa0;K. These results demonstrate that PEAI passivation effectively reduces interfacial recombination, and improves thermal stability, enabling efficient and durable HTL-free perovskite solar cell architectures.</p>

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High-efficiency and thermally stable HTL-free CsxFA1−xPbI3 perovskite solar cells enabled by a PEAI interlayer

  • 期刊论文

  • 发表日期：

    2026年3月31日

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  • Abdullah H. Alshehri

摘要

This work presents a comprehensive numerical investigation of CsxFA1−xPbI3 -based perovskite solar cells (PSCs) using the SCAPS-1D simulation tool to optimize key design parameters influencing device efficiency and stability. The simulation model was validated against experimental data, showing excellent agreement with a power conversion efficiency (PCE) of 11.8%. Parametric analysis revealed that absorber thickness and defect density critically influence performance, with an optimal thickness of 1000–1200 nm ensuring efficient light absorption and charge collection. Comparative evaluation of electron and hole transport layers (ETLs and HTLs) demonstrated that the C60/NiO combination delivers superior photovoltaic performance, achieving a PCE of 18.26%, due to favorable band alignment and efficient charge extraction. An HTL-free architecture incorporating a 30 nm phenethylammonium iodide (PEAI) interlayer was further investigated to enhance interfacial stability. The optimized HTL-free structure achieved a Voc of 1.36 V, JSC of 20.7 mA·cm⁻², FF of 71.89%, and a PCE of 20.36% at 300 K. These results demonstrate that PEAI passivation effectively reduces interfacial recombination, and improves thermal stability, enabling efficient and durable HTL-free perovskite solar cell architectures.