Collision and adsorption of hydrogen with high incident kinetic energies on a single-walled boron nitride (BN) nanotube have been investigated. Molecular-dynamics (MD) simulations indicate that at incident energies below 14 eV hydrogen bounces off the BN nanotube wall. On the other hand, at incident energies between 14 and 22 eV each hydrogen molecule is dissociated at the exterior wall to form...

Abstract: Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward (C3H4) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of methylacetylene (C3H4) the pristine nanotubes is a bout -1.78kcal/mol. But when nanotube have been doped with Si and Al atomes, the adsorption energy of me...

In this research, geometrical structures of armchair single walled boron nitride nanotube (SWBNNT) and armchair single walled aluminum nitride nanotube (SWAlNNT) were optimized by Density Functional Theory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G* level of theory have been used to determine and compare electronic properties, n...

In this research, geometrical structures of armchair single walled boron nitride nanotube (SWBNNT) and armchair single walled aluminum nitride nanotube (SWAlNNT) were optimized by Density Functional Theory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G* level of theory have been used to determine and compare electronic properties, n...

Hybridization of homopolynucleotide poly(rC) adsorbed to the carbon nanotube surface with poly(rI) free in solution has been studied by absorption spectroscopy and molecular dynamics method. It was found that hybridization on the nanotube surface has a slow kinetics, the behavior of which differs essentially from fast hybridization of free polymers. The duplex obtained is characterized with the...

Recent studies of SWNT/polymer nanocomposites identify the large interfacial thermal resistance at nanotube/nanotube junctions as a primary cause for the only modest increases in thermal conductivity relative to the polymer matrix. To reduce this interfacial thermal resistance, we prepared a freestanding nanotube framework by removing the polymer matrix from a 1 wt % SWNT/PMMA composite by nitr...

Results in the literature demonstrate that substantial improvements in the mechanical behavior of polymers have been attained through the addition of small amounts of carbon nanotubes as a reinforcing phase. This suggests the possibility of new, extremely lightweight carbon nanotube-reinforced polymers with mechanical properties comparable to those of traditional carbon-fiber composites. Motiva...

In this work, we have studied Joule heating in carbon nanotube based very large scale integration (VLSI) interconnects and incorporated Joule heating influenced scattering in our previously developed current transport model. The theoretical model explains breakdown in carbon nanotube resistance which limits the current density. We have also studied scattering parameters of carbon nanotube (CNT)...

A 0.4 mm long semiconducting single-walled carbon nanotube is doped into n type by potassium ~K! vapor. Electrical measurements of the doped nanotube reveal single-electron charging at temperatures up to 160 K. The K-doped sample manifests as a single quantum dot or multiple quantum dots in series depending on the range of applied gate voltage. This is explained by an inhomogeneous doping profi...

We demonstrate the efficient chemical vapor deposition synthesis of single-walled carbon nanotubes where the activity and lifetime of the catalysts are enhanced by water. Water-stimulated enhanced catalytic activity results in massive growth of superdense and vertically aligned nanotube forests with heights up to 2.5 millimeters that can be easily separated from the catalysts, providing nanotub...