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<p>Lead-free perovskites have emerged as a promising avenue for the safe and sustainable production of high-efficiency solar energy. In this study, the photovoltaic potential of tetragonal-KGeCl<sub>3</sub>, a novel absorber material previously designed via density functional theory (DFT) calculations, was investigated. Utilizing SCAPS simulations, a systematic analysis was conducted to investigate the impact of absorber thickness, bulk and interfacial defect densities, doping concentration, charge transport layers (holes and electrons), series resistance, and operating temperature on device performance. Following the optimization of pivotal parameters, particularly the reduction of interfacial defect densities at the electron transport layer (ETL)/absorber and hole transport layer (HTL)/absorber interfaces, the optimized KGeCl<sub>3</sub>-based device achieved power conversion efficiency (PCE) of 34.97%, corresponding to open-circuit voltage of 1.14&#xa0;V, current density (<i>J</i><sub>sc</sub>) of 35.45&#xa0;mA/cm<sup>2</sup>, and a fill factor of 86.63%.These results underscore the potential of KGeCl<sub>3</sub> as a highly promising absorber for next-generation lead-free perovskite solar cells.</p>

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Numerical Investigation of Tetragonal-KGeCl3 Perovskite-Based Solar Cells

  • 期刊论文

  • 发表日期：

    2025年12月22日

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  • Abdelhadi Mouhiha,
  • Nabil Bouri,
  • Selma Rabhi,
  • Abdelmadjid Herbadji,
  • Hafsa Diyagh,
  • Brahim Anna,
  • Mohamed Ajoumal,
  • Khalid Nouneh,
  • Reddad El Moznine

摘要

Lead-free perovskites have emerged as a promising avenue for the safe and sustainable production of high-efficiency solar energy. In this study, the photovoltaic potential of tetragonal-KGeCl3, a novel absorber material previously designed via density functional theory (DFT) calculations, was investigated. Utilizing SCAPS simulations, a systematic analysis was conducted to investigate the impact of absorber thickness, bulk and interfacial defect densities, doping concentration, charge transport layers (holes and electrons), series resistance, and operating temperature on device performance. Following the optimization of pivotal parameters, particularly the reduction of interfacial defect densities at the electron transport layer (ETL)/absorber and hole transport layer (HTL)/absorber interfaces, the optimized KGeCl3-based device achieved power conversion efficiency (PCE) of 34.97%, corresponding to open-circuit voltage of 1.14 V, current density (Jsc) of 35.45 mA/cm2, and a fill factor of 86.63%.These results underscore the potential of KGeCl3 as a highly promising absorber for next-generation lead-free perovskite solar cells.