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High-Performance and Stable Perovskite Solar Cells Based on Dopant-Free Arylamine-Substituted Copper(Ⅱ) Phthalocyanine Hole-Transporting Materials

机译:基于无掺杂芳胺取代的铜(Ⅱ)酞菁空穴传输材料的高性能且稳定的钙钛矿太阳能电池

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摘要

A power conversion efficiency (PCE) as high as 19.7% is achieved using a novel, low-cost, dopant-free hole transport material (HTM) in mixed-ion solution-processed perovskite solar cells (PSCs). Following a rational molecular design strategy, arylamine-substituted copper(II) phthalocyanine (CuPc) derivatives are selected as HTMs, reaching the highest PCE ever reported for PSCs employing dopant-free HTMs. The intrinsic thermal and chemical properties of dopant-free CuPcs result in PSCs with a long-term stability outperforming that of the benchmark doped 2,2 ',7,7 '-Tetrakis-(N,N-di-p-methoxyphenylamine)-9,9 '-Spirobifluorene (Spiro-OMeTAD)-based devices. The combination of molecular modeling, synthesis, and full experimental characterization sheds light on the nanostructure and molecular aggregation of arylamine-substituted CuPc compounds, providing a link between molecular structure and device properties. These results reveal the potential of engineering CuPc derivatives as dopant-free HTMs to fabricate cost-effective and highly efficient PSCs with long-term stability, and pave the way to their commercial-scale manufacturing. More generally, this case demonstrates how an integrated approach based on rational design and computational modeling can guide and anticipate the synthesis of new classes of materials to achieve specific functions in complex device structures.
机译:在混合离子溶液处理的钙钛矿太阳能电池(PSC)中使用新型,低成本,无掺杂剂的空穴传输材料(HTM),可实现高达19.7%的功率转换效率(PCE)。按照合理的分子设计策略,选择芳基胺取代的铜(II)酞菁铜(CuPc)衍生物作为HTM,达到了报道的采用无掺杂HTM的PSC的最高PCE。不含掺杂剂的CuPcs的固有热化学性质导致PSC的长期稳定性优于基准掺杂的2,2',7,7'-四烷基-(N,N-二-对甲氧基苯胺)- 9,9'-螺双芴(Spiro-OMeTAD)型设备。分子建模,合成和完整的实验表征相结合,揭示了芳基胺取代的CuPc化合物的纳米结构和分子聚集,提供了分子结构与器件性能之间的联系。这些结果揭示了将工程化的CuPc衍生物作为无掺杂HTM的潜力,以制造具有长期稳定性的经济高效的PSC,并为它们的商业规模生产铺平了道路。更一般而言,该案例说明了基于合理设计和计算建模的集成方法如何指导和预期新型材料的合成,以实现复杂设备结构中的特定功能。

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