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)3种单壁碳纳米管的杂化轨道,并给出了s轨道成分和p轨道成分与π轨道倾角的关系.
The hybridization orbitals of zigzag, armchair and chiral carbon nanotubes were studied according to the hybridization theory of orbitals and the geometrical structure of single-wall carbon nanotubes, the relation between the component of s and p orbitals and the ,π-orbital inclination angle were given analytically.
出处
《浙江师范大学学报（自然科学版）》
CAS
2007年第4期368-371,共4页
Journal of Zhejiang Normal University:Natural Sciences
基金
浙江省自然科学基金资助项目(Y605167)
关键词
单壁碳纳米管
杂化轨道
s轨道成分
倾角
single-wall carbon nanotube
hybridization orbital
s-orbital component
inclination angle
