全无机非铅CsGeI3同质结钙钛矿太阳能电池性能模拟与优化

Simulation and optimization of the performance of all-inorganic lead-free CsGeI3 homojunction perovskite solar cells

  • 摘要: 全无机锗(Ge)基钙钛矿太阳能电池因其环境友好性及优异的光电特性而备受关注。然而,受限于材料内部较高的缺陷密度与较短的载流子扩散长度,传统单结结构器件面临严重的体相复合损耗,导致其光电转换效率(PCE)远低于理论极限。本文提出一种在CsGeI3吸收层内部构筑p-n型同质结的方法,通过增强内建电场来提高载流子传输效率。本文利用SCAPS-1D软件,对吸收层的厚度、掺杂浓度等关键参数进行了优化。通过对比单结与同质结结构的能带演变、内建电场分布及载流子复合动力学,揭示了同质结设计在抑制Shockley-Read-Hall复合、提升电荷收集效率方面的本质优势。研究结果表明,当n-CsGeI3厚度为100 nm、掺杂浓度为1.0×1018 cm−3,且p-CsGeI3厚度为650 nm、掺杂浓度为1.0×1018 cm−3时,器件获得了27.68%的PCE,性能显著优于传统单结器件。本工作不仅为克服无铅钙钛矿载流子输运瓶颈提供了新的物理路径,也为制备高效率、环境友好的全无机 PSCs 提供了重要的理论支撑与设计思路。

     

    Abstract: All-inorganic germanium (Ge)-based perovskite solar cells (PSCs) have attracted significant attention due to their environmental friendliness and excellent optoelectronic properties. However, limited by high internal defect densities and short carrier diffusion lengths, traditional single-junction devices suffer from severe bulk recombination losses, resulting in power conversion efficiencies (PCE) far below the theoretical limit. In this study, a method of constructing an n-p homojunction within the CsGeI3 absorption layer is proposed to enhance the built-in electric field and improve carrier transport efficiency. Utilizing SCAPS-1D software, key parameters such as absorption layer thickness and doping concentrations were systematically optimized. By comparing the energy band evolution, built-in electric field distribution, and carrier recombination kinetics of single-junction and homojunction structures, the fundamental advantages of the homojunction design in suppressing Shockley-Read-Hall recombination and enhancing charge collection efficiency are revealed. The results demonstrate that when the n-type layer thickness is 100 nm with a doping concentration of 1.0×1018 cm−3, and the p-type layer thickness is 650 nm with a doping concentration of 1.0×1018 cm−3, the device achieves a peak PCE of 27.68%, significantly outperforming traditional single-junction devices. This work not only provides a new physical pathway to overcome the carrier transport bottleneck in lead-free perovskites but also offers crucial theoretical support and design strategies for fabricating high-efficiency, eco-friendly all-inorganic PSCs.

     

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