This study entails a theoretical investigation of the effect of the hole transport layer (HTL) and electron transport layer (ETL) materials on a lead-free perovskite solar cell based on methylammonium tin iodide (CH₃NH₃SnI₃). The simulations of the solar cells were conducted with the aid of the one-dimensional solar cell capacitance simulator, SCAPS-1D. The initial primary cell with the following architectural design: glass/FTO/WS₂/CH₃NH₃SnI₃/P3HT/Au, was simulated to yield a modest power conversion efficiency (PCE) of 10.47%. In an attempt to improve the PCE of this device, several materials were tested as the HTL, and their effects on the PCE were simulated. Subsequently, various ETL materials were tested with what were found to be the best possible HTL materials. The PCE of the primary device increased from 10.47% to over 16% with the utilization of 2,2′,7,7′-tetrakis [N,N-di(4-methoxyphenyl)amino]-9,9′-spirobifluorene (spiro-OMeTAD), copper(I) oxide (Cu₂O), copper(I) thiocyanate (CuSCN), copper(I) iodide (CuI), and poly(2,5-bis(3-tetradecylthiophen-2-yl)thieno-[3,2-b]thiophene) (D-PBTTT-14) as HTLs. Tungsten disulfide (WS₂) was shown to be the best suitable ETL material. The density of defects of the absorber for the devices with tungsten disulfide as the ETL and Cu₂O, D-PBTTT-4, CuSCN, spiro-OMeTAD, and CuI as the HTLs, was best at 1.5 × 10¹⁷ cm⁻³, while for the primary device, the best value of the density of defects was 1.5 × 10¹⁴ cm⁻³. Furthermore, the energy barriers at the interface for primary and optimum devices was examined. Additionally, the effect of the external operating temperature on the performance of the devices was investigated. The simulation results allow one to propose the best HTL and ETL materials for high performance of lead-free perovskite solar cells, based on tin.

这项研究需要对空穴传输层（HTL）和电子传输层（ETL）材料对基于甲基碘化铵（CH ₃ NH ₃ SnI ₃）的无铅钙钛矿太阳能电池的影响进行理论研究。借助一维太阳能电池电容模拟器SCAPS-1D进行了太阳能电池的仿真。模拟具有以下架构设计的初始主电池：玻璃/ FTO / WS ₂ / CH ₃ NH ₃ SnI ₃ / P3HT / Au，以产生10.47％的适度功率转换效率（PCE）。为了改善PCE该设备的HTL测试了多种材料，并模拟了它们对PCE的影响。随后，对各种ETL材料进行了测试，发现它们是最好的HTL材料。所述PCE的主设备的从10.47％提高到16％以上用的2,2'的利用率，7,7'-四[N，N-二（4-甲氧基苯基）氨基] -9,9'-螺二芴（螺-OMeTAD），氧化铜（I）（Cu ₂ O），硫氰酸铜（I），氰化铜（I），碘化铜（I）（CuI）和聚（2,5-双（3-十四烷基噻吩-2-基） ）噻吩并[[3,2-b]噻吩）（D-PBTTT-14）作为HTL。二硫化钨（WS ₂）被证明是最合适的ETL材料。以二硫化钨为ETL和Cu ₂的器件的吸收体缺陷密度O，D-PBTTT-4，CuSCN，spiro-OMeTAD和CuI作为HTL的最佳值为1.5×10 ¹⁷  cm ^-3，而对于主器件，缺陷密度的最佳值为1.5×10 ¹⁴ 厘米^-3。此外，还检查了主要设备和最佳设备的界面处的能垒。此外，还研究了外部工作温度对器件性能的影响。仿真结果使人们能够提出最佳的HTL和ETL材料，以实现基于锡的无铅钙钛矿太阳能电池的高性能。