Heating of organic molecules, for example, fullerenes encapsulated in single walled carbon nanotubes can result in the coalescence of the molecules forming an inner tube. The growth of tubes with different diameters and/or chiralities can start at different places at the same time. The formation of a junction between the two different tubes depends on many parameters. A special case is when the two tubes have the same chiralities, but opposite handedness. We have shown using topological and combinatorial arguments that at least two non-equivalent junctions can be formed in these cases, with different arrangements of the pentagons and heptagons in the junction. We optimized the geometry using first principles method and investigated the effect of the junction on the electronic density of states of the bamboo-type nanotube.
- Density-functional theory
- Structure of carbon nanotubes
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics