Effect of Haeckelite Structure on Optical Properties of Carbon Nanotubes Bundles: Density Functional Theory Study

The optical properties of pristine nanotube bundle and nanotube with Haeckelite structure were investigated for polarized and unpolarized light as well as light through polycrystalline media. We implemented density functional theory to study the effect of Haeckelite structure on optical properties of chiral (10, 5) carbon nanotube bundle. We found that the presence of Haeckelite structure in the bundle modified yet improved the optical properties of the nanotubes. This modification in optical properties will open a wide range of applications including flat panel displays, solar energy conversion, ultraviolet light-emitting diodes, and photo-catalysis. Therefore, studying carbon nanotubes with these defects has gained much attention due to the great potential sensor applications.