Boron nanotube growth by thermal evaporation
摘要
In this paper, a novel model based on the kinetic theory of gases and phonon vibrations of boron nanotube (BNTs) on a catalyst is presented to describe the growth mechanism of BNTs in thermal evaporation. The interaction between the BNTs and the cathalyst is investigated by Lennard–Jones potential. Simulations demonstrate that the BNTs length during growth is saturated due to damping factors and the BNTs inertia. In addition, the results show there is an optimum growth rate of temperature for the growth of the BNTs and this optimum rate can be derived from the theory. Furthermore, the relationship between the BNTs length and the type of catalyst demonstrates the existence of an optimum catalyst for optimizing the growth of BNTs at a specific growth rate of temperature. Finally, it is shown that increasing partial pressure leads to the longest BNTs due to the increasing probability of binding. All results agree with reported experimental results, so they can be useful in future experimental and theoretical research for the optimization of BNTs growth.