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Host-Guest Complexation Strategy for Passivating Pb-Dimer Related Defects in Perovskite Photovoltaics |
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| Authors: | Ni Zhang Tinghao Li Can Wang Qiu Xiong Feng Li Zilong Zhang Chunyan Deng Chongzhu Hu Naoyuki Shibayama Jihuai Wu Peng Gao |
| Affiliation: | 1. CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002 P. R. China Laboratory for Advanced Functional Materials, Xiamen Institute of Rare Earth Materials, Haixi Institute, Chinese Academy of Sciences, Xiamen, 361021 P. R. China University of Chinese Academy of Sciences, Beijing, 100049 P. R. China;2. CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002 P. R. China Laboratory for Advanced Functional Materials, Xiamen Institute of Rare Earth Materials, Haixi Institute, Chinese Academy of Sciences, Xiamen, 361021 P. R. China Fujian Normal University, Fuzhou, 350007 P. R. China;3. CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002 P. R. China Laboratory for Advanced Functional Materials, Xiamen Institute of Rare Earth Materials, Haixi Institute, Chinese Academy of Sciences, Xiamen, 361021 P. R. China;4. Engineering Research Center of Environment-Friendly Functional Materials, Ministry of Education, Huaqiao University, Xiamen, 361021 P. R. China College of Materials Science & Engineering, Huaqiao University, Xiamen, 361021 P. R. China;5. Faculty of Biomedical Engineering, Graduate School of Engineering, Toin University of Yokohama, 1614 Kurogane-cho, Aoba, Yokohama, Kanagawa, 225–8503 Japan;6. CAS Key Laboratory of Design and Assembly of Functional Nanostructures, and Fujian Provincial Key Laboratory of Nanomaterials Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002 P. R. China |
| Abstract: | Although there is extensive attention to the eminent perovskite solar cells, the deep-level defects such as Pb-Pb dimers in the solution-processed polycrystalline perovskites inevitably result in photovoltaic output losses and subsequent degradation. Recently, it is reported that an electron-donating group can passivate Pb dimer defects efficiently. However, the mechanism for the causation of metallic lead (Pb0) from the iodide vacancy (VI) is unclear. Herein, a chain reaction mechanism is proposed for the possible transformation process from VI to Pb0 with the Pb dimer intermediates. In this regard, a host-guest strategy is adopted by using 4-tert-Butyl-1-(ethoxycarbonyl- methoxy) thiacalix[4]arene (tBuTCA) to complex with the cations and out-of-cage (Lead(II) iodide) PbI2. Moreover, a host-guest complexation can be formed due to the Pb2+-π interactions. Continuously, the negative charge compensation for iodine vacancy can hinder the formation of Pb-Pb dimer, thus significantly suppressing non-radiative recombination. Consequently, the resulting solar cells show more than 24% power conversion efficiencies and maintain over 96% of their initial performance without encapsulation for 486 h under an ambient environment. This work highlights the significance of supramolecular engineering in constructing a high-quality perovskite for efficient and stable perovskite solar cells. |
| Keywords: | calixarene defect passivation host-guest strategy perovskite solar cells stability |