Insights into fullerene polymerization under the high pressure: The role of endohedral Sc dimer

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 end...

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Bibliographic Details
Published in:Carbon Vol. 189. P. 37-45
Other Authors: 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. S.
Format: Article
Language:English
Subjects:
Online Access:http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001001753
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520 3 |a 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. 
653 |a эндоэдральные фуллерены 
653 |a полимеризация 
653 |a фуллериты 
653 |a фазовые превращения 
653 |a теория функционала плотности 
655 4 |a статьи в журналах  |9 885752 
700 1 |a Erohin, Sergei V.  |9 489513 
700 1 |a Churkin, V. D.  |9 885753 
700 1 |a Vnukova, Natalia G.  |9 805760 
700 1 |a Visotin, M. A.  |9 817036 
700 1 |a Kovaleva, Evgenia A.  |9 808353 
700 1 |a Zhukov, V. V.  |9 885754 
700 1 |a Antipina, L. S.  |9 885755 
700 1 |a Tomashevich, Ye. V.  |9 885756 
700 1 |a Mikhlin, Yuri L.  |9 885757 
700 1 |a Popov, M. Yu.  |9 885758 
700 1 |a Churilov, Grigory N.  |9 805761 
700 1 |a Sorokin, Pavel B.  |9 489522 
700 1 |a Fedorov, A. S.  |9 817034 
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