Abstract
In this paper, a novel model is presented to explain the growth mechanism of multi-walled carbon nanotube (MWCNT) in chemical vapor deposition. The developed model is based on kinetic theory of gases and interlayer interaction between neighbor walls of MWCNT in addition to phonon vibrations of MWCNT on substrate. All interactions including MWCNT-catalyst and interlayer are investigated by Lennard-Jones potential. Simulations demonstrate that the growth of walls of MWCNT is saturated at a certain time. In addition, effect of temperature and type of catalyst on growth is investigated and it is shown that there is an optimum temperature and an optimum catalyst for growth process. Also it is shown that the optimum temperature is changed using different catalysts. Finally, effect of the partial pressure of decomposed hydrocarbons on the MWCNT growth is presented. It is shown that increasing partial pressure leads to longest MWCNTs and influence of partial pressure on MWCNTs with smaller diameter of outer wall is stronger. All results are in good agreement with reported experimental results, so it can be useful in future experimental and theoretical researches for optimization of MWCNT growth.
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