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Abstract <p>The conversion efficiency of perovskite solar cells (PSCs) has recently reached 25.2%. However, further advancements are required to improve their stability, minimize defects, and optimize structural design. This study introduces an innovative approach to enhancing PSC performance through interface engineering, thickness and doping optimization, and novel material configurations. Using the Solar Cell Capacitance Simulator (SCAPS), we first develop and validate a conventional <i>n</i>-<i>i</i>-<i>p</i> PSC model based on experimental data reported in the literature. We then propose an optimized structure by inserting an organic <i>n</i>-type PCBM as a passivation layer between TiO<sub>2</sub> (ETM) and CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> (absorber layer), which reduces defects and trap states at the interface, ensures strong interfacial contact, and enhances overall device performance. Additionally, we remove the Spiro-OMeTAD HTM and replace it with a highly doped <i>p</i><sup>+</sup>-CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> layer, improving charge transport and stability. Furthermore, we replace the intrinsic layer with a <i>p</i>-type doped CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> absorber layer to enhance carrier mobility and device performance. The optimized structure, TiO<sub>2</sub> (ETM)/PCBM/CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> (absorber layer)/(<i>p</i><sup>+</sup>-type) CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>, achieves a remarkable power conversion efficiency (PCE) of 24.38%, with an open-circuit voltage (VOC) of 1.12 V, a short-circuit current density (JSC) of 26.03 mA/cm<sup>2</sup>, and a fill factor (FF) of 81.73%. These results highlight the effectiveness of interface passivation in improving both efficiency and stability, providing valuable insights for next-generation PSCs.</p>

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Enhanced Efficiency and Stability of n-i-p Planar Perovskite Solar Cells through PCBM Interface Passivation and an HTM-free layer: A SCAPS-1D Simulation Study

  • 期刊论文

  • 发表日期：

    2025年5月13日

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  • Fatima Maachou,
  • Baya Zebentout,
  • Abdelaziz Rabehi,
  • Abdelmalek Douara,
  • Mawloud Guermoui,
  • Zineb Benamara

摘要

Abstract

The conversion efficiency of perovskite solar cells (PSCs) has recently reached 25.2%. However, further advancements are required to improve their stability, minimize defects, and optimize structural design. This study introduces an innovative approach to enhancing PSC performance through interface engineering, thickness and doping optimization, and novel material configurations. Using the Solar Cell Capacitance Simulator (SCAPS), we first develop and validate a conventional n-i-p PSC model based on experimental data reported in the literature. We then propose an optimized structure by inserting an organic n-type PCBM as a passivation layer between TiO2 (ETM) and CH3NH3PbI3 (absorber layer), which reduces defects and trap states at the interface, ensures strong interfacial contact, and enhances overall device performance. Additionally, we remove the Spiro-OMeTAD HTM and replace it with a highly doped p+-CH3NH3PbI3 layer, improving charge transport and stability. Furthermore, we replace the intrinsic layer with a p-type doped CH3NH3PbI3 absorber layer to enhance carrier mobility and device performance. The optimized structure, TiO2 (ETM)/PCBM/CH3NH3PbI3 (absorber layer)/(p+-type) CH3NH3PbI3, achieves a remarkable power conversion efficiency (PCE) of 24.38%, with an open-circuit voltage (VOC) of 1.12 V, a short-circuit current density (JSC) of 26.03 mA/cm2, and a fill factor (FF) of 81.73%. These results highlight the effectiveness of interface passivation in improving both efficiency and stability, providing valuable insights for next-generation PSCs.