Cs_(2)AgBiI_(6)双空穴传输层太阳能电池的分析与优化  

Theoretical analysis and performance optimization of Cs_(2)AgBiI_(6)solar cells with dual hole transport layers

作　　者：王纪伟 田汉民 王月荣[1] 曹蕊 许武 WANG Jiwei;TIAN Hanmin;WANG Yuerong;CAO Rui;XU Wu(School of Electronics and Information Engineering,Hebei University of Technology,Tianjin 300401,China;Tianjin Key Laboratory of Electronic Materials and Device,Hebei University of Technology,Tianjin 300401,China)

机构地区：[1]河北工业大学电子信息工程学院,天津300401 [2]河北工业大学,天津电子材料与器件实验室,天津300401

出　　处：《物理学报》2025年第3期240-251,共12页Acta Physica Sinica

摘　　要：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/Cs_(2)AgBiI_(6)/HTL/Au单空穴传输层太阳能电池结构基础上,提出了ITO/ZnO/Cs_(2)AgBiI_(6)/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Cs_(2)AgBiI_(6)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Cu_(2)O/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Cu_(2)O/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Cu_(2)O/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,为双钙钛矿太阳能电池的能效提高提供理论指导.Double perovskite materials have received significant attention in the photovoltaic field due to their low cost,environmental friendliness,and lead-free composition,which make them ideal candidates for nextgeneration solar cell applications.In this work,the photovoltaic performance of solar cells using Cs_(2)AgBiI_(6) as the light-absorbing layer is systematically investigated through simulations using Silvaco ATLAS software.Based on the previously reported single hole transport layer device architecture,namely ITO/ZnO/Cs_(2)AgBiI_(6)/HTL/Au,a new dual hole transport layer structure ITO/ZnO/Cs_(2)AgBiI_(6)/HTL1/HTL2/Au is proposed.Different dual hole transport layer combinations are explored,and their influence on the internal physical mechanism and the device performance are analyzed and optimized in detail.The simulation results show that the devices using Cu_(2)O/NiO and NiO/Si respectively as dual hole transport layer significantly improve chargeextraction and generate a negative electric field at the interface, thereby reducing recombination losse andaccelerating the transport of hole carriers. These two configurations exhibit substantially higher efficiencies thanthose configurations with a single hole transport layer, confirming the advantages of the dual hole transportlayer structure. Additionally, devices using Cu_(2)O/CZTS and MoO3/CZTS as dual hole transport layer showbetter performance than the reference structure using Spiro-OMeTAD/CZTS, indicating the potential forfurther improvement by optimizing material selection and layer properties. Of the various dual hole transportlayer combinations tested, the structure utilizing Cu_(2)O/CZTS achieves the highest simulated power conversionefficiency (PCE) of 22.85%. By optimizing the thickness of each functional layer, the efficiency can be furtherincreased to 25.62%, and the optimal layer thickness is determined to be 40 nm for ZnO, 850 nm for Cs_(2)AgBiI_(6),140 nm for Cu_(2)O, and 150 nm for CZTS. Furthermore, the effects of environmental and material par

关 键 词：双钙钛矿太阳能电池 双空穴传输层 光电转换效率 优化 

分 类 号：TB34[一般工业技术—材料科学与工程] TM914.4[电气工程—电力电子与电力传动]