Chemical Research in Chinese Universities ›› 2022, Vol. 38 ›› Issue (1): 75-81.doi: 10.1007/s40242-021-1264-6

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Crystallographic Understanding of Photoelectric Properties for C60 Derivatives Applicable as Electron Transporting Materials in Perovskite Solar Cells

XING Zhou1, LI Shu-Hui1, XU Piao-Yang1, TIAN Han-Rui1, DENG Lin-Long2, YAO Yang-Rong1, CHEN Bin-Wen1, XIE Fang-Fang1, AN Ming-Wei1, YUN Da-Qin3, XIE Su-Yuan1, ZHENG Lan-Sun1   

  1. 1. State Key Lab for Physical Chemistry of Solid Surfaces, iChEM(Collaborative Innovation Center of Chemistry for Energy Materials), Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China;
    2. Pen-Tung Sah Institute of Micro-Nano Science and Technology, Xiamen University, Xiamen 361005, P. R. China;
    3. College of Energy, Xiamen University, Xiamen 361005, P. R. China
  • Received:2021-07-12 Revised:2021-08-20 Online:2022-02-01 Published:2021-12-16
  • Contact: XIE Su-Yuan E-mail:syxie@xmu.edu.cn
  • Supported by:
    This work was supported by the National Nature Science Foundation of China (Nos.92061122, 92061204, 21721001), the China Postdoctoral Science Foundation(No.2020M680197), and the Natural Science Foundation of Guangxi Province of China(No.2020GXNSFBA159037).

Abstract: Hundreds of C60 derivatives stand out as electrontransporting materials(ETMs), for example, in perovskite solar cells(PSCs), due to their properties on electron extraction or defect passivation. However, it still lacks of guidelines to update C60-based ETMs with excellent photoelectric properties. In this work, crystallographic data of eight C60-based ETMs, including pristine C60 and the well-known PCBM as well as six newly synthesized fullerenes, are analyzed to establish the connections between derivatized structures and photoelectric properties for the typical carbon cluster of C60. In terms of packing centroid-centroid distance between neighboring carbon cages, the crystallographic data are useful for probing photoelectric properties, such as electrochemical properties, electron mobility and photovoltaic performances, and therefore facilitate to design novel C60-based ETMs for PSCs with high performances.

Key words: Perovskite solar cell(PSC), Electron transporting material (ETM), Fullerene, Power conversion efficiency, Crystallographic understanding