Improving the Conductivity of Amide-Based Small Molecules through Enhanced Molecular Packing and Their Application as Hole Transport Mediators in Perovskite Solar Cells.
Improving the Conductivity of Amide-Based Small Molecules through Enhanced Molecular Packing and Their Application as Hole Transport Mediators in Perovskite Solar Cells.
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DOI：
10.1021/acsaem.3c01988
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发表时间：
2023-11-27
影响因子：
6.4
通讯作者：
Docampo, Pablo
中科院分区：
文献类型：
--
作者：
Alkhudhayr, Eman A. A.;Sirbu, Dumitru;Fsadni, Miriam;Vella, Benjamin;Muhammad, Bening T.;Waddell, Paul G.;Probert, Michael R.;Penfold, Thomas J.;Hallam, Toby;Gibson, Elizabeth A.;Docampo, Pablo
有机-无机混合卤化物钙钛矿太阳能电池（PSC）已经引起了光伏研究界的极大关注，其功率转换效率（PCE）已经超过26%。目前最先进的器件依赖于Spiro-OMeCl 2作为空穴传输材料（HTM）;然而，Spiro-OMeCl 2由于其复杂的合成和昂贵的产物纯化而成本高昂，而其低电导率最终限制了可实现的器件效率。在这项工作中，我们建立在我们最近推出的低成本酰胺基小分子家族的基础上，并引入了一种分子（称为TPABT），该分子导致高电导率值（添加标准离子添加剂后为10-5 S cm-1），优于我们以前的酰胺基材料（EDOT-酰胺-TPA，10-6 S cm-1），而成本仅为5美元/g。我们归因于有利的分子包装，如单晶X-射线衍射，这导致在三苯胺块之间的紧密间距增加的光电性能。这反过来又导致分子之间的空穴跳跃距离短，因此具有良好的迁移率和导电性。此外，TPABT表现出更高的带隙，因此在太阳光谱的可见光范围内更透明，导致比Spiro-OMeCl 2更低的寄生吸收损失，并且具有增加的水分稳定性。我们将该分子应用于钙钛矿太阳能电池中，并在15%范围内获得了良好的效率值。我们的方法表明，设计更好的分子堆积可能是开发用于钙钛矿太阳能电池的高效率，低成本HTM的关键。
Organic–inorganic hybrid halide perovskite solar cells (PSCs) have attracted substantial attention from the photovoltaic research community, with the power conversion efficiency (PCE) already exceeding 26%. Current state-of-the-art devices rely on Spiro-OMeTAD as the hole-transporting material (HTM); however, Spiro-OMeTAD is costly due to its complicated synthesis and expensive product purification, while its low conductivity ultimately limits the achievable device efficiency. In this work, we build upon our recently introduced family of low-cost amide-based small molecules and introduce a molecule (termed TPABT) that results in high conductivity values (∼10–5 S cm–1 upon addition of standard ionic additives), outperforming our previous amide-based material (EDOT-Amide-TPA, ∼10–6 S cm–1) while only costing an estimated $5/g. We ascribe the increased optoelectronic properties to favorable molecular packing, as shown by single-crystal X-ray diffraction, which results in close spacing between the triphenylamine blocks. This, in turn, results in a short hole-hopping distance between molecules and therefore good mobility and conductivity. In addition, TPABT exhibits a higher bandgap and is as a result more transparent in the visible range of the solar spectrum, leading to lower parasitic absorption losses than Spiro-OMeTAD, and has increased moisture stability. We applied the molecule in perovskite solar cells and obtained good efficiency values in the ∼15% range. Our approach shows that engineering better molecular packing may be the key to developing high-efficiency, low-cost HTMs for perovskite solar cells.
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