Abstract
The energetics and kinetics of carbon nanotube growth are studied using an abinitio method. Specifically, the role of the nitrogen atom is analysed in detail forvarious pathways to the growth of the nanotube edge. The energy barriers areestimated by identifying transition states and it is found that the growth rate of azigzag-type edge is significantly enhanced. The underlying physical mechanism isexplained based on the electronic structure of nitrogen atoms embedded in the carbonnetworks.
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