Numerical Simulation of Gas Phase Growth Environment of Carbon Nanotube Synthesis by Plasma-Enhanced Chemical Vapor Deposition
The gas-phase growth environment of carbon nanotubes has been simulated using different published chemical reaction mechanisms for a gas mixture of methane and hydrogen. Detailed chemical analysis of the growth environment is important in identifying precursor species responsible for CNT formation and is useful in understanding fundamental mechanisms that ultimately could allow control of the CNT synthesis process. The present simulations seek to compare the roles of different gas phase reaction mechanisms and to identify precursors for CNT formation. The results show that inlet methane-hydrogen mixture converts primarily to a acetylene-hydrogen mixture, and C2H2, CH3, H2, and H are the main precursors formed in the plasma under experimentally verified CNT growth conditions in a microwave plasma reactor.