TY - JOUR
T1 - Threshold barrier of carbon nanotube growth
AU - Yuan, Qinghong
AU - Hu, Hong
AU - Ding, Feng
PY - 2011/6/10
Y1 - 2011/6/10
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/80053577893
U2 - 10.1103/PhysRevLett.107.156101
DO - 10.1103/PhysRevLett.107.156101
M3 - 文章
AN - SCOPUS:80053577893
SN - 0031-9007
VL - 107
JO - Physical Review Letters
JF - Physical Review Letters
IS - 15
M1 - 156101
ER -