Threshold Barrier of Carbon Nanotube Growth

被引：35
|
作者：
Yuan, Qinghong [1 ]
Hu, Hong [1 ]
Ding, Feng [1 ,2 ]
机构：
[1] Hong Kong Polytech Univ, Inst Text & Clothing, Kowloon, Hong Kong, Peoples R China
[2] Chinese Acad Sci, Natl Lab Infrared Phys, Shanghai Inst Tech Phys, Shanghai 200083, Peoples R China
来源：
PHYSICAL REVIEW LETTERS | 2011年 / 107卷 / 15期
基金：
中国国家自然科学基金;
关键词：
CHEMICAL-VAPOR-DEPOSITION; MOLECULAR-DYNAMICS; CATALYZED GROWTH; NUCLEATION; MECHANISM; CHIRALITY; GRADIENT; KINETICS;
D O I：
10.1103/PhysRevLett.107.156101
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
A previously overlooked step of carbon nanotube (CNT) growth, incorporating C atoms into the CNT wall through the CNT-catalyst interface, is studied by density functional theory calculations. A significant barrier for incorporating C atoms into the CNT wall (similar to 2 eV for most used catalysts, Fe, Co, and Ni) is revealed and the incorporation can be the threshold step of CNT growth in most experiments. In addition, the temperature dependent CNT growth rate is calculated and our calculation demonstrates that growing 0.1-1 m long CNTs in 1 h is theoretically possible.
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页数：5
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