NATURAL ISOMERS OF FULLERENES FROM C30 TO C40

被引：2
作者：
Melker, Alexander I. [1 ]
Matvienko, Aleksandra N. [2 ]
Krupina, Maria A. [3 ]
机构：
[1] Peter Great St Petersburg Polytech Univ, St Petersburg Acad Sci Strength Problems, Polytekhn Skaya 29, St Petersburg 195251, Russia
[2] Peter Great St Petersburg Polytech Univ, Dept Mech & Control Proc, Polytekhn Skaya 29, St Petersburg 195251, Russia
[3] Peter Great St Petersburg Polytech Univ, Dept Expt Phys, Polytekhn Skaya 29, St Petersburg 195251, Russia
来源：
MATERIALS PHYSICS AND MECHANICS | 2020年 / 45卷 / 01期
关键词：
atomic isomer; dimer embedding; energy; fullerene; fusion reaction; graph representation; growth; periodic system; self-organization; symmetry; topological symmetry;
D O I：
10.18720/MPM.4512020_7
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We have systematized possible ways of forming the isomers of midi-fullerenes, namely C-30, C-32, C-34 C-36, C-38 and C-40. Similar to the isomers of midi-fullerenes from C-20 to C-28, there are three the most natural mechanisms of their formation: 1) Embedding carbon dimers into initial fullerenes; 2) Fusion of carbon cupolas having the same symmetry; and 3) Fusion of fullerenes having compatible symmetry. The energies of the fullerenes calculated through the use of molecular mechanics are presented together with their graphs. It is found that in the majority of cases the minimum-energy fullerenes are those, having perfect and topological three-fold symmetries.
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页码：60 / 78
页数：19
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