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中国物理学会期刊

Cs2AgBi0.75Sb0.25Br6钙钛矿太阳能电池的优化设计

CSTR: 32037.14.aps.73.20231299

Optimal design of Cs2AgBi0.75Sb0.25Br6 perovskite solar cells

CSTR: 32037.14.aps.73.20231299
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  • 双钙钛矿太阳能电池以其低成本、高性能、环境友好、稳定性强而备受关注. 本研究使用Silvaco TCAD分析了Cs2AgBi0.75Sb0.25Br6太阳能电池的钙钛矿层厚度、能带偏移、金属电极功函数、传输层厚度及掺杂浓度与器件效率的关系, 以提升器件性能. 基于空穴传输层为Spiro-OMeTAD, 电子传输层为ZnO的器件进行初始研究, 其显示出12.66%的光电转换效率. 结果表明, 当钙钛矿层厚度大于500 nm时, 效率趋于饱和. 最佳导带偏移量为0—+0.5 eV, 最佳价带偏移量为–0.1—+0.2 eV. 在改变器件的电子传输层为ZnOS, 空穴传输层分别为MoO3, Cu2O和CuSCN的情况下, 优化其厚度和掺杂浓度, 最终空穴传输层为Cu2O的双钙钛矿太阳能电池理论光电转换效率达22.85%, 比目前报道的理论效率值相对提升了25.6%. 此外, 当金属电极功函数小于–4.9 eV时易实现最佳效率. 本工作为开发高性能无铅钙钛矿太阳能电池提供了理论指导.

     

    Double perovskite solar cells have attracted much attention due to their low cost, high performance, environmental friendliness, and strong stability. In this study, the effect of thickness of perovskite layer, band offset, metal electrode work function, the thickness and doping concentration of the transport layer on the efficiency of Cs2AgBi0.75Sb0.25Br6 solar cells are analyzed by using Silvaco TCAD to improve device performance. This preliminary study of device based on Spiro-OMeTAD as hole transport layer (HTL) and ZnO as electron transport layer (ETL) shows that the photovoltaic conversion efficiency (PCE) is 12.66%. The results show that the efficiency gradually saturates when the thickness of the perovskite layer is greater than 500 nm. The optimal conduction band offset (CBO) ranges from 0 eV to +0.5 eV and the optimal valence band offset (VBO) from –0.1 eV to +0.2 eV. After changing the device's ETL into ZnOS and HTLs into MoO3, Cu2O and CuSCN, respectively, and optimizing their thickness values and doping concentrations, the final theoretical photovoltaic conversion efficiency of the double perovskite solar cell with an HTL of Cu2O can reach 22.85%, which is increased by 25.6% compared with the currently reported theoretical efficiency value. Moreover, the optimal efficiency is achieved when the metal electrode work function is less than –4.9 eV. This work will help find suitable materials for the transport layer and provide guidance for developing the high-performance and lead-free perovskite solar cells.

     

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