A Tight-Binding Grand Canonical Monte Carlo Study of the Catalytic Growth of Carbon Nanotubes
2008 ◽
Vol 8
(11)
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pp. 6099-6104
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Keyword(s):
The nucleation of carbon nanotubes on small nickel clusters is studied using a tight binding model coupled to grand canonical Monte Carlo simulations. This technique follows the conditions of the synthesis of carbon nanotubes by chemical vapor deposition. The possible formation of a carbon cap on the catalyst particle is studied as a function of the carbon chemical potential, for particles of different size, either crystalline or disordered. We show that these parameters strongly influence the structure of the cap/particle interface which in turn will have a strong effect on the control of the structure of the nanotube. In particular, we discuss the presence of carbon on surface or in subsurface layers.
2004 ◽
Vol 241
(1-3)
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pp. 149-154
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1998 ◽
Vol 282
(1)
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pp. 59-63
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2015 ◽
Vol 13
(2)
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pp. 207-220
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Keyword(s):
Keyword(s):
1998 ◽
Vol 109
(11)
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pp. 4576-4586
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Keyword(s):
2017 ◽
Vol 146
(4)
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pp. 044704
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Keyword(s):
2013 ◽
Vol 239
◽
pp. 628-641
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1996 ◽
Vol 17
(4-6)
◽
pp. 255-288
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Keyword(s):