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<p>Perovskite solar cells (PSCs) have &#xa0;gained attention in photovoltaic research due to their high&#xa0;power conversion efficiencies (PCEs) and low production costs. However, the utility of most efficient PSCs, those incorporating halide perovskites, is limited by their high toxicity and poor long-term stability. To address these issues, chalcogenide perovskites have emerged as a promising alternative. Chalcogenide perovskites are non-toxic and offer excellent long-term durability, improved chemical stability, and superior light absorption. This work analyses single-junction solar cells using BaZrS<sub>3</sub> and CaZrSe<sub>3</sub> absorbers and explores a multijunction design combining both, aiming to overcome the limited photon absorption in single-layer PSCs that hinders scalability and efficiency in next-generation solar applications. A configuration comprising a double perovskite active layer has been introduced and modeled utilizing the SCAPS-1D tool. The cells designed with BaZrS<sub>3</sub> as absorber layer, TiO₂ as the electron transport layer and CuGaO<sub>2</sub> as the hole transport layer achieved a PCE of 22.83%, V<sub>OC</sub> of 1.4&#xa0;V, J<sub>SC</sub> of 19.39&#xa0;mA/cm<sup>2</sup>, and fill-factor (FF) of 83.61%, while the cell designed with CaZrSe₃ as absorber exhibited PCE of 23.46%, V<sub>OC</sub> of 1.06&#xa0;V, J<sub>SC</sub> of 28.84&#xa0;mA/cm<sup>2</sup>, and FF of 76.21%. A dual-absorber device with a PCE of 34.65%, a V<sub>OC</sub> of 1.32&#xa0;V, J<sub>SC</sub> of 31.65&#xa0;mA/cm<sup>2</sup>, and FF of 82.36% was determined by optimizing carrier generation, recombination, and band alignment. Further, parametric studies are conducted to assess the influence of active layer thickness, defect density, interface defect density and acceptor concentration, as well as the effects of shunt resistance, series resistance, and operating temperature on device performance. Additionally, admittance and impedance spectroscopy, and the optimum valence and conduction band offsets are performed to better understand charge transport and recombination dynamics. The results demonstrate that chalcogenide perovskites, particularly in dual-absorber configurations, offer strong potential for PSCs with high scalability, lowcost, and sustainable energy generation.</p>

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Highly efficient dual-absorber BaZrS3/CaZrSe3 chalcogenide perovskite solar cells: A SCAPS-1D simulation study

  • 期刊论文

  • 发表日期：

    2026年5月4日

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  • Anurag Chandrakar,
  • Ayush Khare

摘要

Perovskite solar cells (PSCs) have  gained attention in photovoltaic research due to their high power conversion efficiencies (PCEs) and low production costs. However, the utility of most efficient PSCs, those incorporating halide perovskites, is limited by their high toxicity and poor long-term stability. To address these issues, chalcogenide perovskites have emerged as a promising alternative. Chalcogenide perovskites are non-toxic and offer excellent long-term durability, improved chemical stability, and superior light absorption. This work analyses single-junction solar cells using BaZrS3 and CaZrSe3 absorbers and explores a multijunction design combining both, aiming to overcome the limited photon absorption in single-layer PSCs that hinders scalability and efficiency in next-generation solar applications. A configuration comprising a double perovskite active layer has been introduced and modeled utilizing the SCAPS-1D tool. The cells designed with BaZrS3 as absorber layer, TiO₂ as the electron transport layer and CuGaO2 as the hole transport layer achieved a PCE of 22.83%, VOC of 1.4 V, JSC of 19.39 mA/cm2, and fill-factor (FF) of 83.61%, while the cell designed with CaZrSe₃ as absorber exhibited PCE of 23.46%, VOC of 1.06 V, JSC of 28.84 mA/cm2, and FF of 76.21%. A dual-absorber device with a PCE of 34.65%, a VOC of 1.32 V, JSC of 31.65 mA/cm2, and FF of 82.36% was determined by optimizing carrier generation, recombination, and band alignment. Further, parametric studies are conducted to assess the influence of active layer thickness, defect density, interface defect density and acceptor concentration, as well as the effects of shunt resistance, series resistance, and operating temperature on device performance. Additionally, admittance and impedance spectroscopy, and the optimum valence and conduction band offsets are performed to better understand charge transport and recombination dynamics. The results demonstrate that chalcogenide perovskites, particularly in dual-absorber configurations, offer strong potential for PSCs with high scalability, lowcost, and sustainable energy generation.