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research article

Effect of metal elements in catalytic growth of carbon nanotubes

Yazyev, O. V.  
•
Pasquarello, Alfredo  
2008
Physical Review Letters

Using first-principles calculations, we model the chemical vapor deposition (CVD) growth of carbon nanotubes (CNT) on nanoparticles of late-transition (Ni, Pd, Pt) and coinage (Cu, Ag, Au) metals. The process is analyzed in terms of the binding of mono- and diatomic carbon species, their diffusion pathways, and the stability of the growing CNT. We find that the diffusion pathways can be controlled by the choice of the catalyst and the carbon precursor. Binding of the CNT through armchair edges is more favorable than through zigzag ones, but the relative stability varies significantly among the metals. Coinage metals, in particular Cu, are found to favor CVD growth of CNTs at low temperatures and with narrow chirality distributions.

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Type
research article
DOI
10.1103/PhysRevLett.100.156102
Web of Science ID

WOS:000255117800047

Author(s)
Yazyev, O. V.  
•
Pasquarello, Alfredo  
Date Issued

2008

Published in
Physical Review Letters
Volume

100

Issue

15

Article Number

156102

Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Available on Infoscience
October 8, 2009
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/43544
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