Abstract
A thermodynamic model is developed to describe the growth of carbon nanotubes from a droplet of supersaturated carbon melt in a metal catalyst. The model employs molecular mechanics and semiempirical quantum chemistry methods. The results of calculations enable construction of a phase diagram showing the type of nanotube depending on the melt supersaturation with carbon and the droplet radius.
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Translated from Zhurnal Tekhnichesko\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \) Fiziki, Vol. 74, No. 9, 2004, pp. 63–71.
Original Russian Text Copyright © 2004 by Alekseev.
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Alekseev, N.I. Thermodynamics of the growth of carbon nanotubes of various structures from droplets of supersaturated melt. Tech. Phys. 49, 1166–1175 (2004). https://doi.org/10.1134/1.1800238
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DOI: https://doi.org/10.1134/1.1800238