Density-functional theory is used to investigate sulfur dioxide physisorption inside and outside of single-wall carbon nanotube of (5,0) and (5,5). This study is conducted at B3LYP/6-31G* level of theory. Sulfur dioxide molecule is studied with axis oriented parallel or perpendicular to the nanotube wall. Both internal and external adsorption on nanotubes is increased with the angle of interact...

Based on the continuum mechanics and a multiple-elastic beam model, the nonlinear free vibration of embedded multiwall carbon nanotubes considering intertube radial displacement and the related internal degrees of freedom is investigated. By using the incremental harmonic balanced method, the iterative relationship of nonlinear amplitude and frequency for the single-wall nanotube and double-wal...

We report in situ environmental transmission electron microscope observations of the nucleation and growth of multi-wall and single-wall carbon nanotubes formed by the catalytic decomposition of acetylene (C2H2) on Ni/SiO2 catalyst. The growth rate, structure and morphology of the carbon nanotubes formed depended upon reaction temperature and pressure. Under 20-100 mTorr of gas pressures at 480...

Here we present a hybrid approach to functionalize multi-walled carbon nanotubes in aqueous solution, exploring a non-covalent binding strategy. We focus on formation of hybrid complexes consisting of carbon nanotubes decorated by single stranded DNA, non-covalently attached using surfactants as intermediate layers. Unlike single walled carbon nanotubes, revealing easy side wall wrapping of DNA...

Molecular dynamics simulations are carried out to study the reorientation of single wall carbon nanotubes in a polyethylene matrix under the influence of a 25 T magnetic field. The simulations are based on a variant of velocity Verlet algorithm, which relaxes the Larmor time-step restriction while preserving second-order accuracy. Simulations reveal that the unfolding and reorganization of the ...

Here we present a hybrid approach to functionalize multi-walled carbon nanotubes in aqueous solution, exploring a non-covalent binding strategy. We focus on formation of hybrid complexes consisting of carbon nanotubes decorated by single stranded DNA, non-covalently attached using surfactants as intermediate layers. Unlike single walled carbon nanotubes, revealing easy side wall wrapping of DNA...

Elastic properties of carbon nanotubes and nanoropes are investigated using an empirical force-constant model. For single and multi-wall nanotubes the elastic moduli are shown to be insensitive to details of the structure such as the helicity, the tube radius and the number of layers. The tensile Young’s modulus and the torsion shear modulus calculated are comparable to that of the diamond, whi...

Even though isolated defect-free single-wall carbon nanotubes are straight, bundles of chiral single-wall carbon nanotubes are often helical according to our observations using high-resolution electron microscopy. The driving force for the formation of such helices is the energy gain associated with the optimum orientational alignment of neighboring nanotubes. Our total energy calculations allo...

magnetic force microscope ( mfm ) is a powerful technique for mapping the magnetic force gradient above the sample surface. herein, single-wall carbon nanotubes (swcnt) were used to fabricate mfm probe by dielectrophoresis method which is a reproducible and cost-effective technique. the effect of induced voltage on the deposition manner of carbon nanotubes (cnt) on the atomic force microscope (...