Abstract
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 (∼2eV 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.
Original language | English |
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Article number | 156101 |
Journal | Physical Review Letters |
Volume | 107 |
Issue number | 15 |
DOIs | |
Publication status | Published - 10 Jun 2011 |
ASJC Scopus subject areas
- General Physics and Astronomy