Guo Huanxin, Liu Cong, Hu Honglong, Zhang Shuo, Ji Xiaoyu, Cao Xiao-Ming, Ning Zhijun, Zhu Wei-Hong, Tian He, Wu Yongzhen
Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and Molecular Engineering, Feringa Nobel Prize Scientist Joint Research Center, Institute of Fine Chemicals, Frontiers Science Center for Materiobiology and Dynamic Chemistry, School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237, China.
School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China.
Natl Sci Rev. 2023 Mar 3;10(5):nwad057. doi: 10.1093/nsr/nwad057. eCollection 2023 May.
The spontaneous formation of self-assembly monolayer (SAM) on various substrates represents an effective strategy for interfacial engineering of optoelectronic devices. Hole-selective SAM is becoming popular among high-performance inverted perovskite solar cells (PSCs), but the presence of strong acidic anchors (such as -POH) in state-of-the-art SAM is detrimental to device stability. Herein, we report for the first time that acidity-weakened boric acid can function as an alternative anchor to construct efficient SAM-based hole-selective contact (HSC) for PSCs. Theoretical calculations reveal that boric acid spontaneously chemisorbs onto indium tin oxide (ITO) surface with oxygen vacancies facilitating the adsorption progress. Spectroscopy and electrical measurements indicate that boric acid anchor significantly mitigates ITO corrosion. The excess boric acid containing molecules improves perovskite deposition and results in a coherent and well-passivated bottom interface, which boosts the fill factor (FF) performance for a variety of perovskite compositions. The optimal boric acid-anchoring HSC () can achieve power conversion efficiency close to 23% with a high FF of 85.2%. More importantly, the devices show improved stability: 90% of their initial efficiency is retained after 2400 h of storage (ISOS-D-1) or 400 h of operation (ISOS-L-1), which are 5-fold higher than those of phosphonic acid SAM-based devices. Acidity-weakened boric acid SAMs, which are friendly to ITO, exhibits well the great potential to improve the stability of the interface as well as the device.
在各种衬底上自组装单层膜（SAM）的自发形成是光电器件界面工程的一种有效策略。空穴选择性SAM在高性能倒置钙钛矿太阳能电池（PSC）中越来越受欢迎，但目前最先进的SAM中存在的强酸性锚定基团（如 -POH）对器件稳定性不利。在此，我们首次报道酸度减弱的硼酸可以作为一种替代锚定基团，为PSC构建基于SAM的高效空穴选择性接触（HSC）。理论计算表明，硼酸通过氧空位自发化学吸附到氧化铟锡（ITO）表面，促进了吸附过程。光谱和电学测量表明，硼酸锚定基团显著减轻了ITO的腐蚀。含过量硼酸的分子改善了钙钛矿的沉积，并导致形成连贯且良好钝化的底部界面，这提高了各种钙钛矿组成的填充因子（FF）性能。最佳的硼酸锚定HSC（）可以实现接近23%的功率转换效率，FF高达85.2%。更重要的是，这些器件显示出提高的稳定性：在储存2400小时（ISOS-D-1）或运行400小时（ISOS-L-1）后，保留了其初始效率的90%，这比基于膦酸SAM的器件高出5倍。对ITO友好的酸度减弱的硼酸SAM，很好地展现了改善界面以及器件稳定性的巨大潜力。
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