| 单壁碳纳米管杂化轨道计算 |
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| 引用本文： | 黄秋萍,童国平,殷豪. 单壁碳纳米管杂化轨道计算[J]. 原子与分子物理学报, 2007, 24(1): 45-50 |
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| 作者姓名： | 黄秋萍 童国平 殷豪 |
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| 作者单位： | 浙江师范大学数理学院物理学系,金华,321004 |
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| 摘 要： | 根据轨道杂化理论以及碳纳米管的几何结构,计算了(n,0),(n,n)和(n,m)三种单壁碳纳米管的杂化轨道,给出了杂化轨道s轨道成分和p轨道成分的解析式.对于管径较小的纳米管,锯齿型(n<40),扶手椅型(n<20),手性型(n<30,m
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| 关 键 词： | 单壁碳纳米管 杂化 s轨道成分 |
| 文章编号： | 1000-0364（2007）01-0045-06 |
| 收稿时间： | 2005-10-15 |
| 修稿时间： | 2005-10-15 |
Calculation of the hybridization orbital of single-wall carbon nanotubes |
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| HUANG Qiu-ping,TONG Guo-ping,YIN Hao. Calculation of the hybridization orbital of single-wall carbon nanotubes[J]. Journal of Atomic and Molecular Physics, 2007, 24(1): 45-50 |
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| Authors: | HUANG Qiu-ping TONG Guo-ping YIN Hao |
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| Affiliation: | College of Mathematics and Physics, Zhejiang Normal University, Jinhua 321004,China |
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| Abstract: | According to the hybridization theory of orbitals and the geometrical structure of single-wall carbon nanotubes,the hybridization orbitals of zigzag,armchair and chiral carbon nanotubes are studied respectively and their analytical expressions are given.For the zigzag tubes(n<40),the armchair tubes(n<20),and the chiral tubes(n<30,m
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| Keywords: | single-wall carbon nanotube hybridization s-orbital component |
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