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Abstract <p>This study provided detailed insights into lead-free La<sub>2</sub>NiMnO<sub>6</sub> (LNMO)-based perovskite solar cells through numerical analysis. The device architecture, configured as FTO/SnO<sub>2</sub>/LNMO/MoO<sub>3</sub>/Au, was systematically optimized via SCAPS-1D simulations to evaluate critical parameters influencing photovoltaic performance. Key design variables included absorber thickness, charge transport layer (CTL) properties, defect densities at interfaces, acceptor doping concentrations, and metal work functions. Advanced CTLs (SnO<sub>2</sub> and MoO<sub>3</sub>) were integrated to improve the charge carrier separation. The device achieved power conversion efficiency (PCE) of 24.921%, with a fill factor (FF) of 86.288%, <i>V</i><sub>oc</sub> of 1.197&#xa0;V, and <i>J</i><sub>sc</sub> of 24.118&#xa0;mA/cm<sup>2</sup> by thoroughly optimizing key photovoltaic parameters. Additional investigations included measurement of charge generation and recombination rates to optimize the thickness of the absorber layer, dopant density, and systematic optimization of series/shunt resistance to minimize electrical losses. Temperature-dependent analysis revealed a PCE reduction of ~ 8% between 300&#xa0;K and 400&#xa0;K, underscoring the significance of thermal stability in practical deployment. Quantum efficiency and current–voltage characteristics corroborated the enhanced light absorption and efficient charge collection in the optimized structure. Interface defect engineering and tuning of the dopant density were identified as pivotal factors in mitigating non-radiative losses. This study established a framework for designing thermally stable, high-efficiency thin-film photovoltaic alternatives to lead-containing counterparts. Our findings emphasized the critical role of multidimensional optimization in advancing next-generation solar technologies.</p> Graphical Abstract <p></p>

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Unraveling the Potential of La2NiMnO6-Based Perovskite Solar Cells via SCAPS-1D Simulations: Insights into Performance and Charge Dynamics

  • 期刊论文

  • 发表日期：

    2025年6月7日

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  • Kashaf Ul Sahar,
  • Ubaid Ur Rehman,
  • Ejaz Hussain,
  • Qian Wang,
  • Khalid Mahmood,
  • Chun-Ming Wang

摘要

Abstract

This study provided detailed insights into lead-free La2NiMnO6 (LNMO)-based perovskite solar cells through numerical analysis. The device architecture, configured as FTO/SnO2/LNMO/MoO3/Au, was systematically optimized via SCAPS-1D simulations to evaluate critical parameters influencing photovoltaic performance. Key design variables included absorber thickness, charge transport layer (CTL) properties, defect densities at interfaces, acceptor doping concentrations, and metal work functions. Advanced CTLs (SnO2 and MoO3) were integrated to improve the charge carrier separation. The device achieved power conversion efficiency (PCE) of 24.921%, with a fill factor (FF) of 86.288%, Voc of 1.197 V, and Jsc of 24.118 mA/cm2 by thoroughly optimizing key photovoltaic parameters. Additional investigations included measurement of charge generation and recombination rates to optimize the thickness of the absorber layer, dopant density, and systematic optimization of series/shunt resistance to minimize electrical losses. Temperature-dependent analysis revealed a PCE reduction of ~ 8% between 300 K and 400 K, underscoring the significance of thermal stability in practical deployment. Quantum efficiency and current–voltage characteristics corroborated the enhanced light absorption and efficient charge collection in the optimized structure. Interface defect engineering and tuning of the dopant density were identified as pivotal factors in mitigating non-radiative losses. This study established a framework for designing thermally stable, high-efficiency thin-film photovoltaic alternatives to lead-containing counterparts. Our findings emphasized the critical role of multidimensional optimization in advancing next-generation solar technologies.

Graphical Abstract