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<p>Graded layer technology plays a pivotal role in achieving high solar cell efficiency, working as a tandem device. This study proposes a novel parabolic graded physical parameter configuration for a mixed Pb/Sn halide perovskite implemented within a device structure comprising fluorine tin oxide (FTO)/SnO<sub>2</sub>/perovskite/Spiro-OMeTAD/Au. Exceptional power conversion efficiency (PCE) of 32.88% was attained, signifying remarkable performance. The SCAPS-1D program was utilized for performance parameter calculations, including PCE, short-circuit current density (<i>J</i><sub>sc</sub>), open-circuit voltage (<i>V</i><sub>oc</sub>), and fill factor (FF). The simulation validation was conducted by comparing the current density characteristics (<i>J</i>–<i>V</i>), the external quantum efficiency (EQE), and the performance parameter values with experimental results. The optimization of PCE was achieved by investigating the effects of various inorganic hole transport layers (HTL) (CuSCN, Cu<sub>2</sub>O, and CuI), the thickness (<i>d</i>), defect density (<i>N</i><sub>t</sub>), graded doping concentrations (<i>N</i><sub>A</sub>(<i>A</i>), <i>N</i><sub>A</sub>(<i>B</i>), <i>N</i><sub>D</sub>(<i>A</i>), and <i>N</i><sub>D</sub>(<i>B</i>)) on both the left (<i>A</i>) and right (<i>B</i>) sides of the absorber layer, series (<i>R</i><sub>s</sub>) and shunt (<i>R</i><sub>sh</sub>) resistance, work function of front (<i>W</i><sub>fF</sub>) and back (<i>W</i><sub>fB</sub>) contact, and finally the graded bandgap (<i>E</i><sub>g</sub>(<i>A</i>), <i>E</i><sub>g</sub>(<i>B</i>)) on both sides <i>A</i> and <i>B</i> of the absorber layer. The optimum physical parameters found are <i>d</i> = 1 µm, <i>N</i><sub>t</sub> = 10<sup>12</sup> cm<sup>−3</sup>, <i>N</i><sub>D</sub> (<i>A</i>) = 5 × 10<sup>15</sup> cm<sup>−3</sup>, <i>N</i><sub>D</sub> (<i>B</i>) = 5 × 10<sup>15</sup> cm<sup>−3</sup>, <i>N</i><sub>A</sub> (<i>A</i>) = 10<sup>9</sup> cm<sup>−3</sup>, <i>N</i><sub>A</sub>(<i>B</i>) = 10<sup>17</sup> cm<sup>−3</sup>, <i>R</i><sub>s</sub> = 0 Ω·cm<sup>2</sup>, <i>R</i><sub>sh</sub> = 10<sup>6</sup>–10<sup>10</sup> Ω&#xa0;cm<sup>2</sup>, <i>W</i><sub>fF</sub> = 4.25eV, <i>W</i><sub>fB</sub> = 5–7 eV, <i>E</i><sub>g</sub>(<i>A</i>) = 1.65 eV, and <i>E</i><sub>g</sub>(<i>B</i>) = 1.4 eV, yielding outstanding PCE of 32.88%, with <i>V</i><sub>oc</sub> = 1.414 V, <i>J</i><sub>sc</sub> = 27.13 mA/cm<sup>2</sup> and FF = 85.71%.</p> Graphical Abstract <p></p>

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Graded Approach for Engineering and Optimization of High-Efficiency Solar Cells with a Mixed Pb/Sn Perovskite Absorber

  • 期刊论文

  • 发表日期：

    2025年7月30日

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  • Nabil Bouri,
  • Abdelali Talbi,
  • Hafsa Diyagh,
  • Smail Amraoui,
  • Ahmed Rmili,
  • Tarik Bouragba,
  • Zakaryae Haman,
  • Khalid Nouneh

摘要

Graded layer technology plays a pivotal role in achieving high solar cell efficiency, working as a tandem device. This study proposes a novel parabolic graded physical parameter configuration for a mixed Pb/Sn halide perovskite implemented within a device structure comprising fluorine tin oxide (FTO)/SnO2/perovskite/Spiro-OMeTAD/Au. Exceptional power conversion efficiency (PCE) of 32.88% was attained, signifying remarkable performance. The SCAPS-1D program was utilized for performance parameter calculations, including PCE, short-circuit current density (Jsc), open-circuit voltage (Voc), and fill factor (FF). The simulation validation was conducted by comparing the current density characteristics (J–V), the external quantum efficiency (EQE), and the performance parameter values with experimental results. The optimization of PCE was achieved by investigating the effects of various inorganic hole transport layers (HTL) (CuSCN, Cu2O, and CuI), the thickness (d), defect density (Nt), graded doping concentrations (NA(A), NA(B), ND(A), and ND(B)) on both the left (A) and right (B) sides of the absorber layer, series (Rs) and shunt (Rsh) resistance, work function of front (WfF) and back (WfB) contact, and finally the graded bandgap (Eg(A), Eg(B)) on both sides A and B of the absorber layer. The optimum physical parameters found are d = 1 µm, Nt = 1012 cm−3, ND (A) = 5 × 1015 cm−3, ND (B) = 5 × 1015 cm−3, NA (A) = 109 cm−3, NA(B) = 1017 cm−3, Rs = 0 Ω·cm2, Rsh = 106–1010 Ω cm2, WfF = 4.25eV, WfB = 5–7 eV, Eg(A) = 1.65 eV, and Eg(B) = 1.4 eV, yielding outstanding PCE of 32.88%, with Voc = 1.414 V, Jsc = 27.13 mA/cm2 and FF = 85.71%.

Graphical Abstract