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<p>The choice of the electron transport layer (ETL), an essential step in carrier extraction and energy band alignment, significantly affects the efficiency of lead-free perovskite solar cells (PSCs). In this paper, a numerical simulation analysis of four ETLs in PSCs based on SrZrSe<sub>3</sub>, a promising new chalcogenide perovskite material, was carried out: ZnO, ZnO<sub>0.3</sub>S<sub>0.7</sub>, SnS<sub>2</sub>, and Sn(S<sub>0.92</sub>Se<sub>0.08</sub>)<sub>2</sub>. The SCAPS-1D (Solar Cell Capacitance Simulator) simulator was employed to simulate a planar device structure with AM1.5 G Illumination and CuI as the hole transport layer (HTL) material. The simulation results were analyzed based on the key parameters of interfacial defect density (IDD), absorber (AL) thickness, defect density (N<sub>t</sub>), and temperature. The simulation results included the calculation of energy band alignment, JV curves, EQE, and generation recombination rate maps for the four ETLs. Among the four ETLs, with a maximum power conversion efficiency (PCE) of 29.81%, ZnO<sub>0.3</sub>S<sub>0.7</sub> was found to be better than the other four ETLs in band alignment and carrier extraction, followed by Sn(S<sub>0.92</sub>Se<sub>0.08</sub>)<sub>2</sub> with 27.96%, SnS<sub>2</sub> with 23.16%, and ZnO with 22.45%.</p>

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Tailoring compositional electron transport layers for enhanced carrier extraction in SrZrSe3 lead-free PSCs

  • 期刊论文

  • 发表日期：

    2026年5月22日

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  • Akash Anand Verma,
  • D. K. Dwivedi

摘要

The choice of the electron transport layer (ETL), an essential step in carrier extraction and energy band alignment, significantly affects the efficiency of lead-free perovskite solar cells (PSCs). In this paper, a numerical simulation analysis of four ETLs in PSCs based on SrZrSe3, a promising new chalcogenide perovskite material, was carried out: ZnO, ZnO0.3S0.7, SnS2, and Sn(S0.92Se0.08)2. The SCAPS-1D (Solar Cell Capacitance Simulator) simulator was employed to simulate a planar device structure with AM1.5 G Illumination and CuI as the hole transport layer (HTL) material. The simulation results were analyzed based on the key parameters of interfacial defect density (IDD), absorber (AL) thickness, defect density (Nt), and temperature. The simulation results included the calculation of energy band alignment, JV curves, EQE, and generation recombination rate maps for the four ETLs. Among the four ETLs, with a maximum power conversion efficiency (PCE) of 29.81%, ZnO0.3S0.7 was found to be better than the other four ETLs in band alignment and carrier extraction, followed by Sn(S0.92Se0.08)2 with 27.96%, SnS2 with 23.16%, and ZnO with 22.45%.