ENERGETICS OF MULTILAYERED CARBON TUBULES

被引:242
作者
CHARLIER, JC
MICHENAUD, JP
机构
[1] Laboratoire de Physico-Chimie et de Physique des Matériaux, Université Catholique de Louvain, B-1348 Louvain-La-Neuve, 1, place Croix du Sud
关键词
D O I
10.1103/PhysRevLett.70.1858
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We study the structure of nested multilayered systems composed of two infinite carbon tubules via density functional theory. The calculated intertubule distance is 3.39 angstrom, comparable to the recent measurement of 3.4 angstrom. In such a system, the energy gained by adding a new cylindrical layer around a central one is estimated to be 80% of the graphite dilayer binding energy. Low translation and rotation barriers suggest that carbon tubules of limited length could easily slide into or out of each other and rotate along the cylindrical axis. Comparison with graphite and hyperfullerenes is proposed.
引用
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页码:1858 / 1861
页数:4
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