Boron nitride nanotubes have been proposed as a suitable reinforcement for metal matrix composites. In order to be effective, the interaction between the metal and the nanotube needs to be strong while retaining the nanotube structure. Computational quantum chemistry was used to study interactions of aluminium and titanium metal clusters with boron nitride nanotubes. The effect of varying the r...

density functional theory (dft) calculations have been performed to investigating the effects of themolecular oxygen impurity on the quadrupole coupling constant (qcc) parameters of armchair and zigzagboron nitride nanotubes (bnnts). optimization processes have been performed to relax the original andimpure structures of the investigated bnnts. afterwards, the qcc parameters have been evaluated...

One dimensional boron nitride nanostructures promise many interesting applications in biomedical, semiconductor and hydrogen storage and other fields. We have synthesized Boron Nitride in various nanoforms by a high temperature solid state reaction between boric acid and urea in a commercial microwave furnace. The formation of boron nitride was established from the binding energies for boron an...

an efficient method for purification of yard-glass shaped boron nitride nanotubes (yg-bnnts) fabricated via a chemical vapour reaction (cvr) route has been developed. impurities including carbon, boron nitride (bn), and fe species in the pristine yg-bnnt sample are removed by a combined physical and chemical procedure which involves ultrasonication, high temperature oxidation, hot-water washing...

We have measured the temperature-dependent thermal conductivity T of boron-carbon-nitride B-C-N and boron nitride BN nanotube mats. The thermal conductivity of B-C-N nanotubes is phonon dominated and reflects dimensional effect below 70 K. We employ a new analysis method to estimate the intrinsic T of BN nanotubes converted from B-C-N nanotubes, and find that at room temperature T of a multiwal...

In this study, spectroscopic properties of the single-walled boron-nitride nanotube (SWBNNT) –a semiconductor channel in molecular diodes and molecular transistors–have been investigated under field-free and various applied electric fields by first principle methods.Our analysis shows that increasing the electric field in boron-nitride nanotube (BNNT) decreases the Highest Occupied Crystal Orbi...

Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward hydroquinone (C6H4(OH)2) 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 hydroquinone on the pristine nanotube is  a bout -7.77kcal/mol. But when nanotubes have been doped with Si and Al atomes, the adsorption energy of hy...