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

Erohin, S. V.; Churkin, V. D.; Vnukova, N. G.; Visotin, M. A.; Kovaleva, E. A.; et al. // Carbon//

In this work, through the technology of producing endohedral metallofullerene in macroscopic quantities, the process of pressure polymerization of Sc2C2@C82 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.