Non-superaromatic reference for carbon nanotube as a quasi-one-dimensional pi-bonding model for graphite

被引:7
作者
Aihara, J [1 ]
Tamaribuchi, T [1 ]
机构
[1] SHIZUOKA UNIV,FAC SCI,DEPT PHYS,OYA,SHIZUOKA 422,JAPAN
关键词
D O I
10.1007/BF01166716
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A non-superaromatic reference defined for an armchair tubule is proposed as a simple model for the graphite pi-electron system. This kind of reference structure is easy to deal with because of its quasi-one-dimensional character. We found that even the non-superaromatic reference for a relatively thin armchair tubule has essentially the same pi-binding energy per carbon atom as graphite. The accurate pi-binding energy per carbon atom of graphite turned out to be 1.57459724\beta\.
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页码:231 / 239
页数:9
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