The Cu2ZnSnSxSe4-x (CZTSSe) thin-film solar cells have attracted the attention of researchers due to its earth-abundant composition containing Copper, Zinc, Tin and Sulfur, and Selenide with 12.6% record efficiency (2013-IBM). A 3-D simulation analysis is presented here on the optical, electrical, and thermal characteristics of CZTSSe solar cell using COMSOL multiphysics 3-D simulation package. COMSOL is capable of calculating the optical-electrical-thermal models through electromagnetic wave, semiconductor, and heat transfer modules for a finely meshed structure. Using this capability, we have calculated the optical photogeneration rate of the a Mo/Mo(S,Se)2/CZTSSe/CdS/ZnO/ITO/air structure by inserting the refractive index and extinction coefficient of every layer in Wave optic module in COMSOL. We also calculated the total optical generation rate for two structures with and without Mo(S,Se)2 layer at the junction of Mo and CZTSSe layers. The current-voltage curve, electric field profile, and the recombination rate of the cell has also been calculated by Semiconductor module coupled to wave optic module. The current-voltage characteristics show an improvement in Voc for the cell with Mo(S,Se)2 layer (0.46 to 0.513 V) which was also suggested by IBM for a record cell efficiency. Finally, the thermal maps of the cell has been calculated by heat transfer module coupled to semiconductor module considering the Shockley-Read-Hall (SRH) recombination heat, Joule Heat, and conductive heat flux. The total heat flux magnitude of the cell was also mapped as a result out of these heat generation and cooling sources. The SRH heat is maximum within the depletion width at the CZTSSe/CdS interface, whereas the Joule heating is intensive at the Mo/Mo(S,Se)2/CZTSSe side. Interesting is to see that the heat is mainly conducted to environment from Mo side presented by the conductive heat map. The total heat flux is intensive at both top and bottom interfaces which means the heat is generated at both top and bottom sides of the cells and not only from the illuminated part.

中文翻译：

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在 COMSOL 中模拟 CZTSSe 薄膜太阳能电池：三维光学、电学和热模型


Cu2ZnSnSxSe4-x (CZTSSe) 薄膜太阳能电池因其含有铜、锌、锡、硫和硒化物的地球丰富成分而引起了研究人员的关注，其效率高达 12.6%（2013-IBM）。本文使用 COMSOL 多物理场 3-D 仿真软件包对 CZTSSe 太阳能电池的光学、电学和热特性进行 3-D 仿真分析。 COMSOL 能够通过电磁波、半导体和传热模块计算精细网格结构的光电热模型。利用这一能力，我们通过将每一层的折射率和消光系数插入到Wave光学模块中，计算了a Mo/Mo(S,Se)2/CZTSSe/CdS/ZnO/ITO/空气结构的光学光生速率康索尔。我们还计算了在 Mo 和 CZTSSe 层交界处有和没有 Mo(S,Se)2 层的两种结构的总光发生率。耦合到波动光学模块的半导体模块还计算了电池的电流-电压曲线、电场分布和复合率。电流-电压特性显示，具有 Mo(S,Se)2 层的电池的 Voc 有所改善（0.46 至 0.513 V），IBM 也建议该电池效率创纪录。最后，考虑肖克利-里德霍尔 (SRH) 复合热、焦耳热和传导热通量，通过耦合到半导体模块的传热模块计算电池的热图。电池的总热通量大小也被绘制为这些热量产生和冷却源的结果。 SRH 热量在 CZTSSe/CdS 界面的耗尽宽度内最大，而焦耳加热在 Mo/Mo(S,Se)2/CZTSSe 一侧强烈。 有趣的是，传导热图显示热量主要从 Mo 侧传导到环境。顶部和底部界面的总热通量都很集中，这意味着热量在电池的顶部和底部两侧产生，而不仅仅是从照明部分产生。