This article is cited in 6 papers

Fullerenes

Specific features of the formation of defects in fullerene C$_{46}$

A. I. Podlivaev, L. A. Openov

National Engineering Physics Institute "MEPhI", Moscow

Abstract: The initial stage of the formation of defects in the fullerene C$_{46}$ has been investigated using the atomistic computer simulation. It has been found that the relatively low symmetry of this fullerene leads to the emergence of channels of defect formation, which have not been revealed in the fullerenes C$_{20}$, C$_{36}$, and C$_{60}$. These channels consist in breaking a single C–C bond (in contrast to the simultaneous breaking of two bonds in the course of the Stone–Wales transformation, which is characteristic of high-symmetry fullerenes). For some typical channels, the paths of transformation of the C$_{46}$ fullerene into the corresponding defect isomers have been determined and the heights of the potential barriers encountered in these paths have been calculated.

Received: 22.11.2011

 English version: Physics of the Solid State, 2012, 54:7, 1507–1513

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