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<p>Lead-free (FA)<sub>2</sub>BiCuI<sub>6</sub> double perovskites have garnered substantial interest for their potential as stable and non-toxic photoactive semiconductors. However, a critical aspect lies in identifying efficient and economical hole-selective materials, which are pivotal in perovskite solar cells (PSC) fabrication. This study introduces graphene as a novel hole transport layer (HTL) in PSCs utilizing (FA)<sub>2</sub>BiCuI<sub>6</sub>, marking a pioneering application. Through comprehensive analysis using a solar cell capacitance simulator (SCAPS-1D), the graphene-based HTL configuration has been evaluated. Critical parameters, such as absorber layer thickness, acceptor density, and defect density of interface layers, alongside metal back contacts, greatly influence device performance. The defect density of the interface layers has been optimized up to 10<sup>10</sup>&#xa0;cm<sup>−3</sup> for this structure. The investigation further reveals the interplay between generation, recombination rates, and defect density of the interface and HTLs. Additionally, the study explores the efficiency of C-V analysis in optimizing device performance. Notably, the optimized device structure, FTO/ZnSe/(FA)<sub>2</sub>BiCuI<sub>6</sub>/graphene/Se, exhibited remarkable metrics: a maximum PCE (%) of 25.70, FF (%) of 87.61, J<sub>sc</sub> (mA/cm<sup>2</sup>) of 25.32, and V<sub>oc</sub> (V) of 1.15&#xa0;V within the visible spectrum. Emphasizing using (FA)<sub>2</sub>BiCuI<sub>6</sub> as a non-toxic perovskite active absorber material, this research promotes advancing renewable energy technologies.</p>

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Performance Optimization of (FA)2BiCuI6-Based Perovskite Solar Cells: A Path to Achieve High Efficiency Through Simulation Strategy

  • 期刊论文

  • 发表日期：

    2025年10月28日

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  • Sofia Tahir,
  • Shammas Mushtaq,
  • Rasmiah S. Almufarij,
  • Mohamed Abdelsabour Fahmy,
  • Arslan Ashfaq

摘要

Lead-free (FA)2BiCuI6 double perovskites have garnered substantial interest for their potential as stable and non-toxic photoactive semiconductors. However, a critical aspect lies in identifying efficient and economical hole-selective materials, which are pivotal in perovskite solar cells (PSC) fabrication. This study introduces graphene as a novel hole transport layer (HTL) in PSCs utilizing (FA)2BiCuI6, marking a pioneering application. Through comprehensive analysis using a solar cell capacitance simulator (SCAPS-1D), the graphene-based HTL configuration has been evaluated. Critical parameters, such as absorber layer thickness, acceptor density, and defect density of interface layers, alongside metal back contacts, greatly influence device performance. The defect density of the interface layers has been optimized up to 1010 cm−3 for this structure. The investigation further reveals the interplay between generation, recombination rates, and defect density of the interface and HTLs. Additionally, the study explores the efficiency of C-V analysis in optimizing device performance. Notably, the optimized device structure, FTO/ZnSe/(FA)2BiCuI6/graphene/Se, exhibited remarkable metrics: a maximum PCE (%) of 25.70, FF (%) of 87.61, Jsc (mA/cm2) of 25.32, and Voc (V) of 1.15 V within the visible spectrum. Emphasizing using (FA)2BiCuI6 as a non-toxic perovskite active absorber material, this research promotes advancing renewable energy technologies.