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Threshold Barrier of Carbon Nanotube Growth

Author(s)
Yuan, QinghongHu, HongDing, Feng
Issued Date
2011-10
DOI
10.1103/PhysRevLett.107.156101
URI
https://scholarworks.unist.ac.kr/handle/201301/31377
Fulltext
https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.107.156101
Citation
PHYSICAL REVIEW LETTERS, v.107, no.15, pp.156101
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 (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.
Publisher
AMER PHYSICAL SOC
ISSN
0031-9007
Keyword
CHEMICAL-VAPOR-DEPOSITIONMOLECULAR-DYNAMICSCATALYZED GROWTHNUCLEATIONMECHANISMCHIRALITYGRADIENTKINETICS

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