Single-walled boron nitride nanotubes are chosen as model reactants, and (10,0) and (6,6) are chosen as representatives of armchair and zigzag nanotubes, respectively, to study the interaction of carbenes of the type :CX2. It is found that, contrary to the case of carbon nanotubes, boron nitride tubes, particularly armchair BNNTs, do not show a propensity for cyclopropane ring formation. The SW...

We solve the Green's equation exactly for the armchair-type carbon nanotubes with the one-electron tight-binding Hamiltonian and obtain analytic expressions for the conductance of the nanotube with local perturbations. Our results explicitly show the dependence of the conductance on the Fermi level, the tubular radius, and the strength of the perturbation. A carbon nanotube is a new form of gra...

in this paper, we have used density functional perturbation theory (dfpt) and pseudo-potential method to calculate the phonon spectrum, phonon density of states (dos), specific heat capacity and mechanical properties of (5,5) armchair and (9,0) zigzag single wall carbon nanotubes (swcnts). our calculations show that young’s modulusfor (5,5) and (9,0) nanotubesare higher than 1tpa. we have also ...

In this paper, (10, 0) zigzag nanotubes and (6, 6) armchair nanotubes are considered to investigate the effects of randomly distributed vacancy defects on mechanical behaviors of single-walled carbon nanotubes. A spatial Poisson point process is employed to randomly locate vacancy defects on nanotubes. Atomistic simulations indicate that the presence of vacancy defects result in reducing nanotu...

This study investigates the electronic properties of finite-length armchair carbon nanotubes in an electric field (E) using a single-pi-band tight-binding model. Three different tip configurations are considered, namely, open ends with hydrogen terminations (H-terminations), one end capped with half of C60 fullerene and the other end open with H-terminations, and both ends capped with half of C...

in this work the conduction of ion-water solution through two discrete bundles of armchair carbon and silicon carbide nanotubes, as useful membranes for water desalination, is studied. in order that studies on different types of nanotubes be comparable, the chiral vectors of c and si-c nanotubes are selected as (7,7) and (5,5), respectively, so that    a similar volume of fluid is investigated ...

We study the electronic structure of the junctions between a single graphene layer and carbon nanotubes, using a tight-binding model and the continuum theory based on Dirac fermion fields. The latter provides a unified description of different lattice structures with curvature, which is always localized at six heptagonal carbon rings around each junction. When these are evenly spaced, we find t...