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<p>Solar energy is one of the most promising renewable sources for sustainable electricity generation, and perovskite solar cells (PSCs) have emerged as a highly efficient photovoltaic technology. However, conventional PSCs often suffer from stability issues and environmental concerns associated with lead-based materials. In this work, a hybrid Dion–Jacobson (DJ) 2D–3D perovskite solar cell architecture is numerically investigated using the SCAPS-1D simulation platform. The proposed device structure (Au/SrCu<sub>2</sub>O<sub>2</sub>/PEDA/BaZr<sub>0.96</sub>Ti<sub>0.04</sub>S<sub>3</sub>/SnS<sub>2</sub>/FTO) incorporates a DJ-phase PEDA layer as a 2D interfacial material and a lead-free chalcogenide perovskite BaZr<sub>0.96</sub>Ti<sub>0.04</sub>S<sub>3</sub> absorber to enhance device stability and performance. A systematic parametric optimization of transport layers, absorber thickness, acceptor density, and operating temperature is performed to understand their influence on photovoltaic performance. The optimized device exhibits a maximum power conversion efficiency (PCE) of 31.98%, with a short-circuit current density (J<sub>SC</sub>) of 24.09&#xa0;mA.cm<sup>−2</sup>, an open-circuit voltage (V<sub>OC</sub>) of 1.4865&#xa0;V, and a fill factor (FF) of 89.28% under AM 1.5G illumination at 300&#xa0;K. The improved performance is attributed to favorable energy band alignment, reduced interfacial recombination, and enhanced charge transport in the DJ 2D–3D heterostructure. These findings highlight the potential of DJ interface engineering combined with lead-free chalcogenide absorbers for the development of efficient and environmentally friendly next-generation photovoltaic devices.</p>

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Dimensional synergy for next-generation photovoltaics: high-performance Dion-Jacobson 2D-3D perovskite solar cells

  • 期刊论文

  • 发表日期：

    2026年5月11日

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  • Akash Anand Verma,
  • D. K. Dwivedi

摘要

Solar energy is one of the most promising renewable sources for sustainable electricity generation, and perovskite solar cells (PSCs) have emerged as a highly efficient photovoltaic technology. However, conventional PSCs often suffer from stability issues and environmental concerns associated with lead-based materials. In this work, a hybrid Dion–Jacobson (DJ) 2D–3D perovskite solar cell architecture is numerically investigated using the SCAPS-1D simulation platform. The proposed device structure (Au/SrCu2O2/PEDA/BaZr0.96Ti0.04S3/SnS2/FTO) incorporates a DJ-phase PEDA layer as a 2D interfacial material and a lead-free chalcogenide perovskite BaZr0.96Ti0.04S3 absorber to enhance device stability and performance. A systematic parametric optimization of transport layers, absorber thickness, acceptor density, and operating temperature is performed to understand their influence on photovoltaic performance. The optimized device exhibits a maximum power conversion efficiency (PCE) of 31.98%, with a short-circuit current density (JSC) of 24.09 mA.cm−2, an open-circuit voltage (VOC) of 1.4865 V, and a fill factor (FF) of 89.28% under AM 1.5G illumination at 300 K. The improved performance is attributed to favorable energy band alignment, reduced interfacial recombination, and enhanced charge transport in the DJ 2D–3D heterostructure. These findings highlight the potential of DJ interface engineering combined with lead-free chalcogenide absorbers for the development of efficient and environmentally friendly next-generation photovoltaic devices.