The effects of processing conditions and apparent nanotube length on properties are investigated for carbon nanotube yarns obtained by solid-state drawing of an aerogel from a forest of multi-walled carbon nanotubes. Investigation of twist, false twist, liquid densification and combination methods for converting the drawn aerogel into dense yarn show that permanent twist is not needed for obtai...

The ozonization at the vacancy defect site of the single-walled carbon nanotube has been studied by static quantum mechanics and atom-centered density matrix propagation based ab initio molecular dynamics within a two-layered ONIOM approach. Among five different reaction pathways at the vacancy defect, the reaction involving the unsaturated active carbon atom is the most probable pathway, where...

The role of water in carbon feed on the surface-guided growth of horizontally aligned single-walled carbon nanotubes (HA-SWCNTs) was investigated. It is shown that the amount of water can be optimized to favor HA-SWCNT growth, which is proposed to be due to selective etching of carbon deposits at carbon–metal interface. Without water, nanotube–nanotube interaction and carbon accumulation at the...

This communication reports on the novel work of creating a transistor channel based on functionalized single-walled carbon nanotubes (SWNTs) via electrostatic atomization deposition. The current method of drop-cast though convenient was unable to produce replicable transistor device due to its inherent inability in controlling the volume of liquid being drop-cast. Hence, this method of electros...

In this paper, an elastic shell model is presented for postbuckling prediction of a long thinwalledcylindrical shell under axial compression. The Ritz method is applied to solve the governingequilibrium equation of a cylindrical shell model based on the von-Karman type nonlinear differentialequations. The postbuckling equilibrium path is obtained using the energy method for a long thin-walledcy...

We have developed a two-step filling process for the nano-reaction of ionic liquid in a tip-closed SWNT, where fullerenes are inserted at the end of the host SWNT as a plug to prevent the leakage of the confined ionic liquid during heat treatment.

We present an innovative wet-chemistry-assisted nanotube-substitution reaction approach for the highly efficient synthesis of boron- and nitrogen-codoped single-walled carbon nanotubes (B(x)C(y)N(z)-SWNTs) in bulk quantities. The as-synthesized ternary system B(x)C(y)N(z)-SWNTs are of high purity and quality and have fairly homogeneous B and N dopant concentrations. Electrical transport measure...

first principles calculations were carried out for investigation the novel 7-hydroxycoumarinyl gallates derivatives in gas and liquid phases using density functional theory (dft) method. computational chemistry simulations were carried out to compare calculated quantum chemical parameters for gallates derivatives. all calculations were performed using dmol3 code which is based on dft. the doubl...

25 ABSTRACT: In this work the synthesis of polyaniline/chitosan/functionalized singlewalled carbon nanotube nanocomposite is carried out. For this purpose, single -walled carbon nanotubes were reacted with thionyl chloride to change the hydroxyl to acyl chloride groups for improving the react ability. In other step, aniline monomers and chitosan were polymerized in the presence of Iron (III) Ch...

We report a numerical investigation on the catalytic growth mechanism of a single-walled carbon nanotube (SWNT) inside a template SWNT, that is, formation of a double-walled carbon nanotube (DWNT). The molecular dynamics simulations together with complementary ab inito calculations suggest that the DWNT formation from thermally annealed metallocene-encapsulating SWNT goes through formation of m...