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<p>Perovskite solar cells (PSCs) have become one of the most capable next-generation photovoltaic technologies due to their noteworthy optoelectronic qualities, low-cost fabrication and high efficiency. In this article, we present a statistical investigation of novel bilayer electron transport layer (ETL) design for planar PSCs using the SCAPS-1D simulation tool. The optimized bilayer ETL in the proposed device structure, FTO/ZnO/α-Fe<sub>2</sub>O<sub>3</sub>/MAPbI<sub>3</sub>/NiO/Au, incorporates ZnO/α-Fe<sub>2</sub>O<sub>3</sub>. Bilayer ETL’s effects on the device’s photovoltaic performance were assessed by extensive simulations that diverse important factors, including working temperature, absorber layer thickness, band gap, electron affinity, defect density, and the work functions of back metal contacts. The enhanced bilayer ETLs structure revealed outstanding results, providing extreme power conversion efficiency (PCE) of ~ 32.08 %, a Voc of ~ 1.4781&#xa0;V, a Jsc of ~ 24.0606&#xa0;mA/cm<sup>2</sup>, and an FF of ~ 90.19 %. Furthermore, in 300–600&#xa0;nm spectral regions, the external quantum efficiency surpassed 90 % indicating effective photo carrier extraction and production. A detailed parametric study shows temperature mainly decreases in Voc (~ 1.48 to ~ 1.40&#xa0;V), while Jsc (~ 23.48 to ~ 24.33&#xa0;mA/cm<sup>2</sup>) increases slightly from 250&#xa0;K to 400&#xa0;K, signifying strong thermal stability. Nyquist simulations give more insight into interfacial charge transfer and recombination paths. Additionally, the effects of donor density, electron affinity, and ETL/HTL band gap alignment are carefully studied, showing the importance of precise energy-level design. Indeed, aggregate the band gap (E<sub>g</sub>) of NiO and α-Fe<sub>2</sub>O<sub>3</sub> and varying the ETL electron affinity (~ 3.7–4.3&#xa0;eV) enhanced interfacial selectivity and device efficiency. The rising of ETL and HTL thickness further shows that device performance is highly sensitive to the transport layer design. These results show that tuning absorber properties, transport layer and interfaces together can achieve both high efficiency and stability.</p>

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Tailoring band alignment with multicomponent bilayer ETLs to lift efficiency of PSCs

  • 期刊论文

  • 发表日期：

    2025年12月29日

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  • Prajwal Reddy Korem,
  • Manpreet Kaur,
  • Manisha Kumari,
  • Ankush Kumar Tangra

摘要

Perovskite solar cells (PSCs) have become one of the most capable next-generation photovoltaic technologies due to their noteworthy optoelectronic qualities, low-cost fabrication and high efficiency. In this article, we present a statistical investigation of novel bilayer electron transport layer (ETL) design for planar PSCs using the SCAPS-1D simulation tool. The optimized bilayer ETL in the proposed device structure, FTO/ZnO/α-Fe2O3/MAPbI3/NiO/Au, incorporates ZnO/α-Fe2O3. Bilayer ETL’s effects on the device’s photovoltaic performance were assessed by extensive simulations that diverse important factors, including working temperature, absorber layer thickness, band gap, electron affinity, defect density, and the work functions of back metal contacts. The enhanced bilayer ETLs structure revealed outstanding results, providing extreme power conversion efficiency (PCE) of ~ 32.08 %, a Voc of ~ 1.4781 V, a Jsc of ~ 24.0606 mA/cm2, and an FF of ~ 90.19 %. Furthermore, in 300–600 nm spectral regions, the external quantum efficiency surpassed 90 % indicating effective photo carrier extraction and production. A detailed parametric study shows temperature mainly decreases in Voc (~ 1.48 to ~ 1.40 V), while Jsc (~ 23.48 to ~ 24.33 mA/cm2) increases slightly from 250 K to 400 K, signifying strong thermal stability. Nyquist simulations give more insight into interfacial charge transfer and recombination paths. Additionally, the effects of donor density, electron affinity, and ETL/HTL band gap alignment are carefully studied, showing the importance of precise energy-level design. Indeed, aggregate the band gap (Eg) of NiO and α-Fe2O3 and varying the ETL electron affinity (~ 3.7–4.3 eV) enhanced interfacial selectivity and device efficiency. The rising of ETL and HTL thickness further shows that device performance is highly sensitive to the transport layer design. These results show that tuning absorber properties, transport layer and interfaces together can achieve both high efficiency and stability.