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Insights into fullerene polymerization under the high pressure: The role of endohedral Sc dimer S. V. Erohin, V. D. Churkin, N. G. Vnukova [et al.]

Contributor(s): Erohin, Sergei V | Churkin, V. D | Vnukova, Natalia G | Visotin, M. A | Kovaleva, Evgenia A | Zhukov, V. V | Antipina, L. S | Tomashevich, Ye. V | Mikhlin, Yuri L | Popov, M. Yu | Churilov, Grigory N | Sorokin, Pavel B | Fedorov, A. SMaterial type: ArticleArticleContent type: Текст Media type: электронный Subject(s): эндоэдральные фуллерены | полимеризация | фуллериты | фазовые превращения | теория функционала плотностиGenre/Form: статьи в журналах Online resources: Click here to access online In: Carbon Vol. 189. P. 37-45Abstract: In this work, through the technology of producing endohedral metallofullerene in macroscopic quanti-ties, the process of pressure polymerization of Sc2C2@C-82 and their mechanical properties have been investigated in detail using a set of experimental and theoretical methods. The crucial role of endohedral atoms is demonstrated by comparison with pristine fullerenes. It is shown that the embedding of Sc2C2 complex inside a fullerene significantly facilitates the polymerization process which finally leads to the highly rigid material at high pressures. (C) 2021 Elsevier Ltd. All rights reserved.
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In this work, through the technology of producing endohedral metallofullerene in macroscopic quanti-ties, the process of pressure polymerization of Sc2C2@C-82 and their mechanical properties have been investigated in detail using a set of experimental and theoretical methods. The crucial role of endohedral atoms is demonstrated by comparison with pristine fullerenes. It is shown that the embedding of Sc2C2 complex inside a fullerene significantly facilitates the polymerization process which finally leads to the highly rigid material at high pressures. (C) 2021 Elsevier Ltd. All rights reserved.

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