In this study, a series of dopant-free, low-cost hole-transporting materials (HTMs) based on triphenylamine-functionalized azadipyrromethene dyes 1–3 (TPA-ADPs 1–3) were designed and synthesized. The properties of these new HTMs were investigated by optical spectroscopy, cyclic voltammetry, thermogravimetric analysis, differential scanning calorimetric, atomic force microscopy, and X-ray diffraction, as well as theoretical calculations. The results indicated that the TPA-ADPs 1–3 presented well-matched energy levels with perovskite, higher hole mobility, as well as more effective defect passivation at the perovskite/HTM interface by the coordination interaction between the ADP moiety and the undercoordinated Pb²⁺. The n-i-p perovskite solar cells (PSCs) employing HTMs 1–3 as well as doped Spiro-OMeTAD were fabricated and characterized. The TPA-ADP 1-based PSCs exhibited the best performance with a champion power conversion efficiency (PCE) of 22.13% and an fill factor of 0.81, which was superior to that of the devices based on the doped Spiro-OMeTAD. Long-term device performance studies indicated that the TPA-ADP 1-based PSCs maintained 80% of the initial PCE after 1800 h of storage in the ambient condition of 40–60% RH, which was also higher than the stability of doped Spiro-OMeTAD-based devices under the same conditions.

中文翻译：

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采用三苯胺官能化氮杂二吡咯亚甲基染料作为无掺杂空穴传输材料和双齿表面钝化剂的高效钙钛矿太阳能电池


在本研究中，设计并合成了一系列基于三苯胺功能化氮杂二吡咯亚甲基染料1-3 （TPA-ADPs 1-3 ）的无掺杂剂、低成本空穴传输材料（HTM）。通过光谱学、循环伏安法、热重分析、差示扫描量热法、原子力显微镜、X射线衍射以及理论计算研究了这些新型HTM的性质。结果表明，TPA-ADPs 1-3表现出与钙钛矿良好匹配的能级、更高的空穴迁移率，以及通过 ADP 部分与欠配位 Pb ²之间的配位相互作用在钙钛矿/HTM 界面上更有效的缺陷钝化⁺ .采用 HTM 1-3以及掺杂的 Spiro-OMeTAD 制造并表征了夹层钙钛矿太阳能电池 (PSC)。基于TPA-ADP 1的PSC表现出最佳性能，冠军功率转换效率（PCE）为22.13%，填充因子为0.81，优于基于掺杂Spiro-OMeTAD的器件。长期器件性能研究表明，基于 TPA-ADP 1的 PSC 在 40-60% RH 的环境条件下储存 1800 小时后，仍保持着初始 PCE 的 80%，这也高于掺杂 Spiro-的稳定性。相同条件下基于 OMeTAD 的设备。