Journal of the Chinese Ceramic Society, Volume. 51, Issue 2, 323(2023)

Formation Mechanism of Fullerenes and Metallofullerenes

HUA Zihui1...2,*, WU Bo1,2, GAN Lihua3, LI Hui4,5, and WANG Chunru12 |Show fewer author(s)
Author Affiliations
  • 1[in Chinese]
  • 2[in Chinese]
  • 3[in Chinese]
  • 4[in Chinese]
  • 5[in Chinese]
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    Fullerenes and metallofullerenes have unique structure and novel electronic characteristics, which have great application potential in biomedicine, quantum and information fields. However, how to increase the yields of metallofullerenes is a key technical problem that must be solved for practical application. In order to synthesize metallofullerenes with high yields and selectivity, it is necessary to understand the formation mechanism and develop new synthesis methods. Our research focuses on the comprehensive analysis of the formation mechanism of fullerenes and metallofullerenes in order to find a way to break through the bottleneck of their productivity. On the one hand, the formation process of fullerenes was simulated by density functional theory and molecular dynamics, which directed the optimization of the synthesis conditions of fullerenes. On the other hand, a series of metallofullerenes with specific structures and functions were prepared by accurately controlling the inert gas pressure, arc gas composition and raw material composition of metallofullerenes, and the efficient preparation strategy of metallofullerenes was developed. Finally, we also explored the protection methods after the formation of metallofullerenes, and achieved certain results, laying a solid foundation for the industrialization of metallofullerenes in the future.

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    HUA Zihui, WU Bo, GAN Lihua, LI Hui, WANG Chunru. Formation Mechanism of Fullerenes and Metallofullerenes[J]. Journal of the Chinese Ceramic Society, 2023, 51(2): 323

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    Paper Information

    Special Issue:

    Received: Jun. 27, 2022

    Accepted: --

    Published Online: Mar. 11, 2023

    The Author Email: Zihui HUA (huazihui21@mails.ucas.ac.cn)

    DOI:10.14062/j.issn.0454-5648.20220517

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