Chirality-dependent van Hove singularities ~vHs! of the one-dimensional electronic density of states ~DOS! are discussed in connection with resonant Raman spectroscopy. The effect of trigonal warping on the energy dispersion relations near the Fermi energy splits the peaks of the density of states for metallic nanotubes, and the magnitude of this effect depends on the chiral angle of the carbon...

Since the discovery of the superconductivity in boron-doped diamond [1], the carrier doping, especially boron doping in carbon materials attracts much attentions. For the carbon nanotube, however, the effect of boron doping as well as the possibility of the superconductivity [2] have not been well understood yet. Thus, we systematically study the boron-doped single-walled zigzag carbon nanotube...

Using density-functional tight-binding and ab initio methods we study the adsorption and migration of carbon adatoms on surfaces of single-walled zigzag carbon nanotubes. We demonstrate that the adatoms form strong covalent bonds with the nanotubes and that the migration is strongly anisotropic. The adatom adsorption energy and migration barrier depend on the nanotube diameter and chirality. Th...

In this article, the influence of various vacancy defects on the Young’s modulus of carbon nanotube (CNT) - reinforcement polymer composite in the axial direction is investigated via a structural model in ANSYS software. Their high strength can be affected by the presence of defects in the nanotubes used as reinforcements in practical nanocomposites. Molecular structural mechanics (MSM)/finite ...