Abstract The aim of this work is to optimize a prototype solar cell based on a real model with type-II silicon clathrate Si136 active layer. For that purpose, a simulation of a ITO/Ag/n-Si136/p-Si/Al solar cell was carried out using the SCAPS-1D software. We have systematically investigated the effects of the thickness of n-Si136 layer and the series resistance RS on the main photovoltaic parameters including: open-circuit voltage (Voc), short-circuit current density (Jsc), conversion efficiency (η), and quantum efficiency QE%. Initial simulation of the structure built from the fabricated model revealed primary weak PV properties with Jsc = 9.621 nA/cm2, Voc = 0.225 V, efficiency of η~10−5% and a maximum output power in the range of PM ~ nW with undetected values for FF. After increasing the thickness of the Si136 clathrate layer, (thickness of Si136 = 100 μm and neglected series resistance RS~0), the optimized device architecture revealed better photovoltaic parameters under AM1.5G spectrum and T = 300 K as: Jsc = 22.65 mA/cm2, Voc = 0.92 V, FF = 67.74% and η = 4.03%, maximum output power of PM = 14.11 mW and quantum efficiency of QE = 48% at 980 nm wavelength. Despite the low conversion efficiency of this prototype solar cell, by this work we aim to shed some light on the possible integration of clathrate phases into photovoltaic devices.

中文翻译：

---

使用SCAPS-1D程序的硅包合物基太阳能电池n-Si136/p-Si2的数值模拟和优化

摘要 这项工作的目的是优化基于具有 II 型硅包合物 Si136 活性层的真实模型的原型太阳能电池。为此，使用 SCAPS-1D 软件对 ITO/Ag/n-Si136/p-Si/Al 太阳能电池进行了模拟。我们系统地研究了 n-Si136 层的厚度和串联电阻 RS 对主要光伏参数的影响，包括：开路电压 (Voc)、短路电流密度 (Jsc)、转换效率 (η) 和量子效率 QE%。从制造模型构建的结构的初始模拟揭示了主要的弱 PV 特性，Jsc = 9.621 nA/cm2，Voc = 0.225 V，效率为 η~10−5%，最大输出功率在 PM ~ nW 范围内，未检测到FF 的值。增加 Si136 包合物层的厚度后，（Si136 的厚度 = 100 μm，忽略串联电阻 RS~0），优化的器件架构在 AM1.5G 光谱和 T = 300 K 下显示出更好的光伏参数：Jsc = 22.65 mA/cm2，Voc = 0.92 V，FF = 67.74% 和 η = 4.03%，PM 的最大输出功率 = 14.11 mW，QE 的量子效率在 980 nm 波长下 = 48%。尽管这种原型太阳能电池的转换效率低，但我们的目标是通过这项工作阐明可能将包合物相集成到光伏器件中。