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...

Electrical sensitivity of a Boron Nitride Nano Sheet (BNNS) to phosphine (PH3) molecule is studied using Density Functional Theory (DFT) calculations at the B3LYP/6-31G(d) level of theory. The adsorption energy (Ead) of phosphine on the surface of the pristine Nanosheet is about -678.96×1019eV. Pristine BNNS is a suitable adsorbent for phosphine and can be u...

Boron nitride nanotubes were functionalized with microperoxidase-11 in aqueous media, showing improved catalytic performance due to a strong electron coupling between the active centre of microperoxidase-11 and boron nitride nanotubes.

To determine the non-bonded interaction between methyl benzoate and boron nitridenanotube, we focused on an armchair single-wall boron nitride nanotube (9,9) With length 5 angstroms.The geometry of molecules was optimized using B3LYP method with 6-31g* basis set. Also reactivityand stability of methyl benzoate and boron nitride nanotube (9,9) was checked. Then NBO, FREQ,...

In this work, we report a dielectric nanocomposite paper with layered boron nitride (BN) nanosheets wired by one-dimensional (1D) nanofibrillated cellulose (NFC) that has superior thermal and mechanical properties. These nanocomposite papers are fabricated from a filtration of BN and NFC suspensions, in which NFC is used as a stabilizer to stabilize BN nanosheets. In these nanocomposite papers,...

Graphene-boron nitride monolayer heterostructures contain adjacent electrically active and insulating regions in a continuous, single-atom thick layer. To date structures were grown at low pressure, resulting in irregular shapes and edge direction, so studies of the graphene-boron nitride interface were restricted to the microscopy of nanodomains. Here we report templated growth of single cryst...

Abstract In this work, by means of molecular simulation, we propose two new armchair boron nitride (BN) nanosheets with homonuclear bonds chemical compositions: B 30 N 24 H 18 and 33 21 under the scheme density functional theory at level HSEh1PBE/6–311 + g(d,p). The main characteristic that these contain is are concentrated central zone periphery hexagon (B 3 ) nanosheets, forming pentagonal tr...

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...

This Research Article reports on the enhancement of the thermal transport properties of nanocomposite materials containing hexagonal boron nitride in poly(vinyl alcohol) through room-temperature atmospheric pressure direct-current microplasma processing. Results show that the microplasma treatment leads to exfoliation of the hexagonal boron nitride in isopropyl alcohol, reducing the number of s...