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<p>Perovskite solar cells have emerged as highly efficient and cost-effective photovoltaic technologies, enabling rapid progress toward next-generation energy conversion systems. In this context, chalcogenide perovskites have attracted growing attention as stable and environmentally benign alternatives to lead halide perovskites, owing to their favorable optoelectronic properties. Among them, BaZrS<sub>3</sub> has shown considerable potential as a solar cell absorber material. In this work, a BaZrS<sub>3</sub>-based perovskite-inspired solar cell was systematically designed and numerically investigated using the SCAPS-1D simulation. The device performance was comparatively analyzed by employing sulphide-based hole transport layers (CuSbS<sub>2</sub>, Cu<sub>2</sub>SnS<sub>3</sub>, and Cu<sub>3</sub>BiS<sub>3</sub>) in combination with oxide-based electron transport layers (TiO<sub>2</sub>, SnO<sub>2</sub>, and V<sub>2</sub>O<sub>5</sub>). Key device parameters, including absorber thickness, bulk and interfacial defect densities, series and shunt resistances, and operating temperature, were systematically varied to identify optimal operating conditions. Among the investigated configurations, the FTO/TiO<sub>2</sub>/BaZrS<sub>3</sub>/CuSbS<sub>2</sub> heterostructure demonstrated superior performance, achieving a power conversion efficiency of 18% with an open-circuit voltage of 1.1345&#xa0;V, a short-circuit current density of 19.103&#xa0;mA&#xa0;cm<sup>−2</sup>, and a fill factor of 83.05%. Current–voltage and external quantum efficiency analyses confirmed efficient light absorption and charge carrier collection, while capacitance and band alignment analyses revealed favorable junction characteristics and reduced recombination losses. The optimized device exhibits a well-balanced trade-off between efficiency and stability, positioning the FTO/TiO<sub>2</sub>/BaZrS<sub>3</sub>/CuSbS<sub>2</sub> device structure as a promising candidate for next-generation chalcogenide perovskite solar cells.</p>

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Performance evaluation of BaZrS3-based perovskite solar cells with metal oxide ETLs and sulphur-based HTLs: a SCAPS-1D simulation study of resistance, temperature, and defects

  • 期刊论文

  • 发表日期：

    2026年4月21日

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  • Balaji Gururajan,
  • Venkatesh Narasihman,
  • Kaviya Palanisamy,
  • Zin Thu Thu Naing,
  • Prasanna Sankaran

摘要

Perovskite solar cells have emerged as highly efficient and cost-effective photovoltaic technologies, enabling rapid progress toward next-generation energy conversion systems. In this context, chalcogenide perovskites have attracted growing attention as stable and environmentally benign alternatives to lead halide perovskites, owing to their favorable optoelectronic properties. Among them, BaZrS3 has shown considerable potential as a solar cell absorber material. In this work, a BaZrS3-based perovskite-inspired solar cell was systematically designed and numerically investigated using the SCAPS-1D simulation. The device performance was comparatively analyzed by employing sulphide-based hole transport layers (CuSbS2, Cu2SnS3, and Cu3BiS3) in combination with oxide-based electron transport layers (TiO2, SnO2, and V2O5). Key device parameters, including absorber thickness, bulk and interfacial defect densities, series and shunt resistances, and operating temperature, were systematically varied to identify optimal operating conditions. Among the investigated configurations, the FTO/TiO2/BaZrS3/CuSbS2 heterostructure demonstrated superior performance, achieving a power conversion efficiency of 18% with an open-circuit voltage of 1.1345 V, a short-circuit current density of 19.103 mA cm−2, and a fill factor of 83.05%. Current–voltage and external quantum efficiency analyses confirmed efficient light absorption and charge carrier collection, while capacitance and band alignment analyses revealed favorable junction characteristics and reduced recombination losses. The optimized device exhibits a well-balanced trade-off between efficiency and stability, positioning the FTO/TiO2/BaZrS3/CuSbS2 device structure as a promising candidate for next-generation chalcogenide perovskite solar cells.