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双钙钛矿材料以其低成本、环境友好等优势在太阳能电池领域引起广泛关注。本研究在已报道的ITO/ZnO/Cs2AgBiI6/HTL/Au单空穴传输层太阳能电池结构基础上，提出了ITO/ZnO/Cs2AgBiI6/HTL1/HTL2/Au的双空穴传输层结构，并使用Silvaco TCAD进一步分析了基于Cs2AgBiI6的双空穴传输层太阳能电池的内部物理机制。结果表明，与各单空穴传输层钙钛矿太阳能电池相比，使用Cu2O/NiO和NiO/Si作为双空穴传输层的太阳能电池效率有所提高。与Spiro-OMeTAD/CZTS双空穴传输层太阳能电池相比，使用Cu2O/CZTS和MoO3/CZTS作为双空穴传输层的效率也有所提高。其中，性能最好的Cu2O/CZTS双空穴传输层太阳能电池效率为22.85%。经过钙钛矿层和传输层的厚度优化后，光电转换效率提升至25.62%。此外，模拟结果还揭示了温度和掺杂浓度对太阳能电池特性的影响。这将有利于在无铅、无毒、环保的基础上，为提高双钙钛矿太阳能电池的能效提供了理论指导。Double perovskite materials have garnered significant attention in the photovoltaic field due to their low cost, environmental friendliness, and lead-free composition, making them ideal candidates for next-generation solar cell applications. In this work, the photovoltaic performance of solar cells using Cs2AgBiI6 as the light-absorbing layer was systematically investigated through simulations conducted with Silvaco ATLAS software. Building upon the previously reported single hole transport layer device architecture, ITO/ZnO/Cs2AgBiI6/HTL/Au, a new dual hole transport layer structure, ITO/ZnO/Cs2AgBiI6/HTL1/HTL2/Au, was proposed. Different dual hole transport layer combinations were explored, and their influence on the internal physical mechanisms and device performance was analyzed and optimized in detail. The simulation results demonstrated that devices employing Cu₂O/NiO and NiO/Si as dual hole transport layer, significantly improved charge extraction and generates a negative electric field at the interface, thereby reducing recombination losses and accelerating the transport of hole carriers. These configurations exhibited substantially higher efficiencies compared to those with a single hole transport layer, confirming the advantages of the dual hole transport layer structure. Additionally, devices using Cu₂O/CZTS and MoO₃/CZTS as dual hole transport layer showed better performance than the reference structure employing Spiro-OMeTAD/CZTS, indicating the potential for further improvement by optimizing material selection and layer properties. Among the various dual hole transport layer combinations tested, the structure utilizing Cu₂O/CZTS achieved the highest simulated power conversion efficiency (PCE) of 22.85%. By optimizing the thickness of each functional layer, the efficiency was further increased to 25.62%, with the optimal layer thicknesses determined to be 40 nm for ZnO, 850 nm for Cs₂AgBiI₆, 140 nm for Cu₂O, and 150 nm for CZTS. Furthermore, the effects of environmental and material parameters, such as temperature and hole transport layer doping concentration, on device performance were investigated. This study establishes a theoretical foundation for the design and enhancement of double perovskite solar cells. By demonstrating the potential of dual hole transport layer structures to significantly improve device efficiency, it underscores their value in advancing environmentally friendly and lead-free photovoltaic technologies. The insights gained from this research pave the way for developing high-performance double perovskite solar cells with optimized architectures and material properties.
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Keywords:
- double perovskite solar cell /
- dual HTLs /
- photoelectric conversion efficiency /
- optimization
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