为进一步降低钙钛矿太阳能电池(PSCs)制备成本, 提高其稳定性, 需要可低温制备、稳定和高效的无机空穴传输层。本文利用太阳能电池模拟软件SCAPS-1D对基于CuS空穴传输层的钙钛矿电池进行电学仿真, 探讨了吸光层的厚度和缺陷态密度、界面层缺陷态密度以及空穴传输层电子亲和能对太阳能电池性能的影响。从模拟结果可知, 当钙钛矿薄膜的厚度为400 nm, 吸光层和界面的缺陷态密度小于10-16 cm-3, 且CuS的电子亲和能为3.3 eV时, 电池性能较佳。优化后的电池性能如下: 开路电压(Voc)为1.07 V, 短路电流(Jsc) 为22.72 mA/cm2, 填充因子(FF)为0.85, 光电转换效率(PCE)为20.64%。本研究为基于CuS的高效钙钛矿太阳能电池的实验制备提供了理论上的指导。

Perovskite solar cells (PSCs) have achieved significant progress in recent years. However, to further reduce the cost and improve stability of PSCs, development of low-temperature processed, stable and efficient inorganic hole-transport layer is mandatory. In this work, inorganic CuS based PSCs were simulated with the simulation software SCAPS-1D. The effects of thickness and defect density of the absorber, defect densities of the interfaces, and electron affinity of the hole-transport layer (HTL) on the performance of PSCs were studied. Results show that when perovskite thickness is 400 nm, the defect densities of the absorber and the interfaces are both under 10-16 cm-3, and the electron affinity of CuS is 3.3 eV, the PSCs yield higher performance with open circuit voltage (Voc) of 1.07 V, current density (Jsc) of 22.72 mA/cm2, fill factor (FF) of 0.85, and photoelectric conversion efficiency (PCE) of 20.64%. This work provides theoretical guidance for the preparation of high-performance PSCs based on CuS HTLs.