Mixed cation perovskite solar cells (PSCs) have shown high stability over 1000 h under outdoor conditions. In this paper, we simulated fluorine-doped tin oxide/TiO₂/(FAPbI₃)_0.85(MAPbBr₃)_0.15/ Spiro-OMeTAD solar cell as the base structure by SCAPS-1D software. We then studied the effects of E _V position of hole transport layer (HTL) and E _C position of electron transport layer (ETL) and carrier density of HTL and ETL, on the performance of the solar cells. Simulation results showed that the carrier density of HTL and ETL has outstanding effect on the performance of the mixed cation PSC through band alignment between the layers. Moreover, we studied the influence of defect density of ETL/perovskite and perovskite/HTL interface layers. According to simulation results, we predict that using Spiro-OMeTAD as HTL and Nb-doped TiO₂ as ETL, that have shown capability of fabrication with PSCs, improves the power conversion efficiency to 19.75%.

混合阳离子钙钛矿太阳能电池 (PSC) 在户外条件下显示出超过 1000 小时的高稳定性。在本文中，我们通过SCAPS-1D软件模拟了掺氟氧化锡/TiO ₂ /(FAPbI ₃ ) _0.85 (MAPbBr ₃ ) _0.15 / Spiro-OMeTAD太阳能电池作为基础结构。然后我们研究了空穴传输层 (HTL)的E _V位置和E _{C 的影响}电子传输层 (ETL) 的位置以及 HTL 和 ETL 的载流子密度对太阳能电池性能的影响。仿真结果表明，HTL和ETL的载流子密度通过层间能带排列对混合阳离子PSC的性能有显着影响。此外，我们研究了 ETL/钙钛矿和钙钛矿/HTL 界面层的缺陷密度的影响。根据模拟结果，我们预测使用 Spiro-OMeTAD 作为 HTL 和 Nb 掺杂的 TiO ₂作为 ETL，已经显示出与 PSC 的制造能力，将功率转换效率提高到 19.75%。