Structures and electronic properties of small carbon nanotube tori
Structures and electronic properties of small carbon nanotube tori
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DOI：
10.1103/physrevb.62.1600
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发表时间：
2000-07
影响因子：
3.7
通讯作者：
D. Oh;J. Park;Kwang S. Kim
中科院分区：
文献类型：
--
作者：
D. Oh;J. Park;Kwang S. Kim
富勒烯和纳米管是纳米器件发展中有希望的候选材料。最近，已经观察到一种形式的碳纳米管环面结构。在这方面，我们研究了几何形状，电子结构，和能量的小碳纳米管环面，使用紧束缚和半经验量子化学方法。结果表明，${D}{5d}$纳米管环具有半导体性质，而${D}{6 h}$纳米管环具有弯曲纳米管的金属（或类金属）性质。我们发现，${D}_{5d}$纳米管环面与相应的富勒烯一样稳定，但在能量上比相应的纳米管更有利。特别地，${D}_{5d}$纳米管环面的五边形比弯曲纳米管和${D}_{6 h}$纳米管环面的五边形变形更小。这表明这种小的纳米管环面可以在最佳动力学驱动条件下观察到，并最终用作纳米器件。
Fullerenes and nanotubes are promising candidates in the development of nanodevices. Recently, a form of carbon nanotube torus structures has been observed. In this regard, we have investigated the geometries, electronic structures, and energetics of small carbon nanotube tori, using both the tight-binding and semiempirical quantum chemical approaches. It is shown that ${D}_{5d}$ nanotube tori behave like semiconductors, while ${D}_{6h}$ nanotube tori exhibit metal (or metal-like) characteristics similar to bent nanotubes. We show that the ${D}_{5d}$ nanotube tori, which are as stable as the corresponding fullerenes, are energetically more favored than the corresponding nanotubes. In particular, the pentagons of the ${D}_{5d}$ nanotube tori are less deformed than those of bent nanotubes and ${D}_{6h}$ nanotube tori. This indicates that such small nanotube tori could be observed under optimal kinetic-driven conditions and eventually utilized as nanodevices.