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<p>We proposed and simulated a lead-free and environmentally friendly photovoltaic device based on Na<sub>2</sub>SnBr<sub>6</sub> as an absorber layer. We theoretically investigated the effects of different parameters (particularly absorber layer thickness, defect density, and charge transport layer selection) on the device performance. The optimized structure consists of CBTS as the hole transport layer and SnS<sub>2</sub> as the electron transport layer. CBTS offers a good band alignment (high carriers’ mobility) and a large hole transport layer (bonding energy), and offers superior charge carrier motion with better coupling strength. The simulation results show a power conversion efficiency of 33.85%, an open-circuit voltage of 0.85&#xa0;V, a short-circuit current density of 46.00&#xa0;mA/cm<sup>2</sup>, and a fill factor of 86.46%. Various interactions between the interfacial defects and recombination mechanisms are analyzed. These results show that low defect densities and excellent band alignment result in high power conversion efficiency. Furthermore, this work serves as the theoretical basis of stable, efficient, and non-toxic photovoltaic devices based on halide double perovskites.</p>

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A Comparative Analysis of Hole Transport Layers for Enhancing Charge Transportation in High-performance Na2SnBr6 Perovskite Solar Cells

  • 期刊论文

  • 发表日期：

    2025年5月20日

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  • Md. Shamim Reza,
  • Avijit Ghosh,
  • Md. Towfiq Uz Zaman,
  • Hmoud Al-Dmour,
  • H. A. Alrafai,
  • Abeer A. Hassan

摘要

We proposed and simulated a lead-free and environmentally friendly photovoltaic device based on Na2SnBr6 as an absorber layer. We theoretically investigated the effects of different parameters (particularly absorber layer thickness, defect density, and charge transport layer selection) on the device performance. The optimized structure consists of CBTS as the hole transport layer and SnS2 as the electron transport layer. CBTS offers a good band alignment (high carriers’ mobility) and a large hole transport layer (bonding energy), and offers superior charge carrier motion with better coupling strength. The simulation results show a power conversion efficiency of 33.85%, an open-circuit voltage of 0.85 V, a short-circuit current density of 46.00 mA/cm2, and a fill factor of 86.46%. Various interactions between the interfacial defects and recombination mechanisms are analyzed. These results show that low defect densities and excellent band alignment result in high power conversion efficiency. Furthermore, this work serves as the theoretical basis of stable, efficient, and non-toxic photovoltaic devices based on halide double perovskites.