In this study, experimental photovoltaic performance and numerical simulations are compared for perovskite solar cells devices with MoS₂ hybrid hole transporting layer (HTL) structure. Experimentally, it is established that the incorporation of MoS₂ with 2 mg/ml concentration effectively acts as a barrier to ion migration and minimizes the shunt contact. The optimum absorber thickness, defect density, and optimum MoS₂ thickness were theoretically evaluated and discussed by modeling the electrical characteristics of the cells using SCAPS-1D software, hence, the correlation of structural and morphologic tuning can be examined. The optimum absorber thickness of 400 nm and 363 nm was shown for simulation and experimental, respectively, meanwhile, the optimum MoS₂ thickness of 30 nm recorded in the simulation was agreed by an experimental thickness of 29 nm. Remarkably, the surface morphology of the perovskite layer with visible pinholes was observed and successfully concealed by the optimum MoS₂ concentration. The simulated HTL structure based on the optimized parameters showed an efficiency of 11.24%, and the hybrid-HTL structure showed a significant enhancement in the efficiency by up to 14.16%. Further validation via experiment, the efficiency of 8.3% and 9.5% was obtained for the HTL and hybrid-HTL structures, respectively. Thus, the results revealed that the structural and morphologic tuning can establish a beneficial guide for the optimization and fabrication of devices from the simulation and experimental perspectives.

在这项研究中，比较了具有MoS ₂混合空穴传输层（HTL）结构的钙钛矿型太阳能电池器件的实验光伏性能和数值模拟。从实验上可以确定，掺入浓度为2 mg / ml的MoS ₂有效地充当了离子迁移的障碍，并最大程度地减少了分流接触。通过使用SCAPS-1D软件对电池的电特性进行建模，从理论上评估和讨论了最佳吸收体厚度，缺陷密度和最佳MoS ₂厚度，因此可以检查结构和形态调整的相关性。分别针对模拟和实验分别显示了400 nm和363 nm的最佳吸收层厚度，同时，最佳MoS模拟中记录的₂厚度为30 nm，实验厚度为29 nm。显着地，观察到具有可见针孔的钙钛矿层的表面形态，并且通过最佳的MoS ₂浓度成功地掩盖了该钙钛矿层的表面形态。基于优化参数的模拟HTL结构显示出11.24％的效率，而Hybrid-HTL结构显示出高达14.16％的效率显着提高。通过实验进一步验证，HTL和杂化HTL结构的效率分别为8.3％和9.5％。因此，结果表明，从仿真和实验的角度来看，结构和形态调整可以为器件的优化和制造提供有益的指导。