Tubular graphic carbon structures
Tubular graphic carbon structures
复制标题
管状图形碳结构
DOI：
10.1080/00268979200102641
复制
发表时间：
1992
影响因子：
1.7
通讯作者：
W. C. Herndon
中科院分区：
文献类型：
--
作者：
Ying;W. C. Herndon
我们定义了两类无限石墨碳管（巴基管）根据其六方环结构的基本形态。圆柱形（1，0）管（类型一，螺距为零）的主轴平行于每个正六边形的两个边，并且（2，0）圆柱（类型二，螺距为零）中六边形边的方向与管轴成90°。也可以构造节距大于零的螺旋石墨管。在这项工作中的螺旋节距采取的值为零和统一的管被认为是。基于HMO能级计算，我们得到了这些管的特征多项式的一般公式和/或递推关系。由公式可知，周长为3R（R为整数）六边形环的（1，0）管的HOMO-LUMO带隙为零;其他（1，0）管的带隙总是非零。当音高等于1时，这种模式略有改变。在这种情况下，具有圆周的（1，1）管...
We define two classes of infinite graphitic carbon tubes (buckytubes) depending on the underlying morphology of their hexagonal ring structures. The principal axis of a cylindrical (1, 0) tube (type one, helical pitch zero) is parallel to two of the sides of each regular hexagon, and the orientation of hexagon sides in a (2, 0) cylinder (type two, pitch zero) lies at 90° to the tube axis. Helical graphitic tubes where the pitch is larger than zero can also be constructed. The tubes in which the helical pitch takes on the values zero and unity are considered in this work. Based on HMO level calculations, we obtain general formulae and/or recurrence relationships for characteristic polynomials of these tubes. From the formulae, it is found that (1,0) tubes with a circumference of 3R hexagonal rings (R is an integer) have zero HOMO-LUMO band gaps; other (1, 0) tubes always have nonzero band gaps. This pattern is slightly altered when the pitch equals one. In this case, the (1,1) tubes with a circumference of...
M. Kimura：“多并苯碳骨架有机高聚物中的超导相和其他相。III.屏蔽电子-电子相互作用-重正化群方法-”
DOI：
--
发表时间：
--
期刊：
影响因子：
--
作者：
通讯作者：
--
影响因子：
2.8
作者：
G. Habermehl
通讯作者：
G. Habermehl