This work focuses onstudying oflead-free inorganic perovskite material, specifically cubic-KGeCl, as a solar cell absorber layer. The SCAPS-1D simulation is performed based on the electronic properties derived from DFT analysis of KGeCl.The performance of KGeClperovskite solar cell has been optimized by suitable selection of ETL and HTL material, layer thickness, doping concentration, defect density, series resistance, shunt resistance and back metal contact. It was found out that SnSas ETL and CuO as HTL provides best power conversion efficiency (). The results obtained from this study aligned well with previous published literatures. Finally, the optimized novel device architecture FTO/SnS/KGeCl/CuO/C shows a of 15.83 %, = 545 mV, = 41.91 mA/cmand = 69.24 % at 300 K temperature. The findings of this study suggest that cubic-KGeClperovskite can be a very promising candidate for non-toxic inorganic solar cells.

中文翻译：

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根据 DFT 导出的特性对无毒 KGeCl3 钙钛矿进行 SCAPS-1D 模拟

这项工作重点研究无铅无机钙钛矿材料，特别是立方KGeCl，作为太阳能电池吸收层。SCAPS-1D模拟是基于KGeCl的DFT分析得出的电子特性进行的。通过适当选择ETL和HTL材料、层厚度、掺杂浓度、缺陷密度、串联电阻、并联，优化了KGeCl钙钛矿太阳能电池的性能电阻和背面金属接触。结果发现，SnSas ETL 和 CuO 作为 HTL 可提供最佳的功率转换效率 ()。这项研究获得的结果与之前发表的文献非常吻合。最后，优化的新颖器件架构 FTO/SnS/KGeCl/CuO/C 在 300 K 温度下的 a 为 15.83 %，= 545 mV，= 41.91 mA/cm，并且 = 69.24 %。这项研究的结果表明，立方KGeCl钙钛矿可能是无毒无机太阳能电池的非常有前途的候选者。