Molecular Engineering of Copper Phthalocyanines: A Strategy in Developing Dopant‐Free Hole‐Transporting Materials for Efficient and Ambient‐Stable Perovskite Solar Cells,Advanced Energy Materials

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Molecular Engineering of Copper Phthalocyanines: A Strategy in Developing Dopant‐Free Hole‐Transporting Materials for Efficient and Ambient‐Stable Perovskite Solar Cells
Advanced Energy Materials ( IF 24.4 ) Pub Date : 2018-12-05 , DOI: 10.1002/aenm.201803287
Xiaoqing Jiang ₁ , Dongping Wang _{1,

2} , Ze Yu ₁ , Wanying Ma ₂ , Hai-Bei Li ₃ , Xichuan Yang ₁ , Feng Liu ₄ , Anders Hagfeldt ₅ , Licheng Sun _{1,

6}

Affiliation

Copper (II) phthalocyanines (CuPcs) have attracted growing interest as promising hole‐transporting materials (HTMs) in perovskite solar cells (PSCs) due to their low‐cost and excellent stability. However, the most efficient PSCs using CuPc‐based HTMs reported thus far still rely on hygroscopic p‐type dopants, which notoriously deteriorate device stability. Herein, two new CuPc derivatives are designed, namely CuPc‐Bu and CuPc‐OBu, by molecular engineering of the non‐peripheral substituents of the Pc rings, and applied as dopant‐free HTMs in PSCs. Remarkably, a small structural change from butyl groups to butoxy groups in the substituents of the Pc rings significantly influences the molecular ordering and effectively improves the hole mobility and solar cell performance. As a consequence, PSCs based on dopant‐free CuPc‐OBu as HTMs deliver an impressive power conversion efficiency (PCE) of up to 17.6% under one sun illumination, which is considerably higher than that of devices with CuPc‐Bu (14.3%). Moreover, PSCs containing dopant‐free CuPc‐OBu HTMs show a markedly improved ambient stability when stored without encapsulation under ambient conditions with a relative humidity of 85% compared to devices containing doped Spiro‐OMeTAD. This work thus provides a fundamental strategy for the future design of cost‐effective and stable HTMs for PSCs and other optoelectronic devices.

中文翻译：

酞菁铜的分子工程：开发高效和环境稳定的钙钛矿型太阳能电池的无掺杂空穴传输材料的策略

铜（II）酞菁（CuPcs）作为钙钛矿型太阳能电池（PSC）中的有前景的空穴传输材料（HTM），由于其低成本和出色的稳定性而引起了越来越多的兴趣。但是，迄今为止，使用基于CuPc的HTM的最有效的PSC仍然依赖于吸湿性p型掺杂剂，这众所周知会降低器件的稳定性。在此，通过对Pc环的非外围取代基进行分子工程设计了两种新的CuPc衍生物，即CuPc-Bu和CuPc-OBu，并在PSC中用作无掺杂的HTM。值得注意的是，Pc环取代基中从丁基到丁氧基的微小结构变化会显着影响分子排列，并有效改善空穴迁移率和太阳能电池性能。作为结果，基于无掺杂CuPc-OBu作为HTM的PSC在一个阳光照射下可提供高达17.6％的出色功率转换效率（PCE），远高于具有CuPc-Bu的设备（14.3％）。此外，与不含掺杂Spiro-OMeTAD的器件相比，包含无掺杂CuPc-OBu HTM的PSC在没有相对湿度为85％的环境条件下进行封装的情况下进行存储时，其环境稳定性显着提高。因此，这项工作为将来为PSC和其他光电设备设计具有成本效益且稳定的HTM提供了基本策略。与不含掺杂Spiro-OMeTAD的器件相比，不含无掺杂CuPc-OBu HTM的PSC在不封装的情况下在相对湿度为85％的环境条件下存储时，其环境稳定性显着提高。因此，这项工作为将来为PSC和其他光电设备设计具有成本效益且稳定的HTM提供了基本策略。与不含掺杂Spiro-OMeTAD的器件相比，不含无掺杂CuPc-OBu HTM的PSC在不封装的情况下在相对湿度为85％的环境条件下存储时，其环境稳定性显着提高。因此，这项工作为将来为PSC和其他光电设备设计具有成本效益且稳定的HTM提供了基本策略。

更新日期：2018-12-05

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