Aberration-corrected electron microscopy (STEM-HAADF) has been used for the first time to understand the capping, nature and structure of the MoS(2) nanotubes. The MoS(2) nanotubes that have been obtained have various unusual faceted caps presumably arising from the presence of topological defects. A detailed study of the capping of the nanotubes, along with identification that the MoS(2) nanot...

We report the one-electron spectrum and eigenstates of infinite achiral chiral $(2m,m)$ carbon nanotubes found by using analytic solution to Schr\"odinger equation for tight-binding H\"uckel-type Hamiltonian. With help matching wave functions on interfaces between regions, where electrons have different site energies, we find compare transmission coefficients zigzag, armchair subjected action a...

Geometrical structure, nuclear magnetic resonance (N1,1It) chemical shielding tensors, and chemical shiftsof silicon and carbon nucler are investigated for twn infinite size zigzag and armchair single-walled siliconcarbide nanotabes (SiCNTs). Geometrical structures of SieNTs, Sit bonds and bond angles of St and Cvertices in both zigzag and armchair nanotubes, Indicate that bond lengths are appr...

adsorption of co2 on the surface of single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (swcnts) were studied through using density functional theory (dft) calculations. optimizations of geometric were performed at the b3pw91 level of 6-311++g** method standard basis set using gaussian 03 package of program [1]. structural models were optimized and adsorption energies, band gap, charge...

The properties of carbon nanotubes can be dramatically altered by the presence of defects. In this work we address the properties of two different kinds of defective nanotubes: junctions of achiral tubes with topological defects and partially unzipped carbon nanotubes. In particular, we begin by focussing on the interface states in carbon nanotube junctions between achiral tubes. We show that t...

In this work, we study the interaction of extremely short pulses with a nonlinear anisotropic optical medium carbon nanotubes (armchair and zigzag type) metallic conductivity. The dependence pulse shape, width, intensity on nanotube chirality indices is analyzed. most appropriate type substantiated for providing localized propagation an electromagnetic field in properties. Keywords: anisotropy,...

Stimulated by recent advances in isolating graphene and similarities to single-wall carbon nanotubes, simulations were performed to assess the effects of static disorder on the conductance of metallic armchair- and zigzag-edge graphene nanostrips. Both strip types were found to have outstanding ballistic transport properties in the presence of a substrate-induced disorder. However, only the zig...

We investigate the tensile properties of MoS2 nanotubes by implementation a set molecular dynamics runs, using recently developed version Stillinger–Weber (SW) potential. The considered are H and T polytypes, with zigzag armchair chirality. found that only diameter greater or equal than 30 Å stable when modelled SW Zigzag have larger elastic modulus same polytype diameter, deform more easily na...

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 ...

the structure and the electronic properties of single-walled zigzag bn and b3c2n3 nanotubes (n, 0; n=4–10) were investigated using first-principles calculations based on a density functional theory. a plane–wave basis set with periodic boundary conditions in conjunction with vanderbilt ultrasoft pseudo-potential was employed. the energy gap of zb3c2n3nts was calculated and compared with the cor...