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research article

Carbon diffusion in CVD growth of carbon nanotubes on metal nanoparticles

Yazyev, O. V.  
•
Pasquarello, Alfredo  
2008
Physica Status Solidi B-Basic Solid State Physics

Diffusion of carbon is the crucial step in chemical vapor deposition (CVD) growth of carbon nanotubes (CNTs) On metal nanoparticles. Using first principles techniques we model the binding and diffusion of carbon atoms and dimers on late transition (Ni, Pd, Pt) and coinage (Cu, Ag, Au) metal catalysts. We consider various diffusion mechanisms including both surface and subsurface channels, finding the lowest activation barriers for carbon adatoms on nanoparticles of coinage metals. For these metals, our calculations further show that the diffusion is restricted to the nanoparticle surface when diatomic carbon is initially obtained from the decomposition of the precursor gas. In combination with the results for the binding of CNT fragments to metal nanoparticles, we conclude that coinage metal. catalysts, in particular Cu, favor CVD growth of CNTs at low temperatures and with narrow chirality distributions.

  • Details
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Type
research article
DOI
10.1002/pssb.200879573
Web of Science ID

WOS:000260581800068

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

2008

Published in
Physica Status Solidi B-Basic Solid State Physics
Volume

245

Issue

10

Start page

2185

End page

2188

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/20.500.14299/43545
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