Density functional theorymolecular dynamics simulations were employed to give insights into the mechanism of voltage generation based on a water-filled single-walled boron-nitrogen nanotube (SWBNNT). Our calculations showed that (1) the transport properties of confined water in a SWBNNT are different from those of bulk water in view of configuration, the diffusion coefficient, the dipole orient...

In this study, the optical refractive constants of (5, 5) SWBNNT and SWCNT systems were calculated in both parallel perpendicular directions tube axis by using Quantum ESPRESSO YAMBO code. It also extended behaviors to instead reported literature. looked at effects diameter nanotube on properties chiral angles. From our results, best reflection was found for SWBNNT, while refraction with SWCNT....

In this study, a semi analytical method for transverse and axial vibration of single-walled boron nitride nanotube (SWBNNT) under moving a nanoparticle is presented. The surrounding elastic medium as Pasternak foundation and surface stress effect are included in the formulations of the proposed model. Using Timoshenko beam theory (TBT), Hamilton’s principle and nonlocal piezoelasticity theory, ...

Single-walled boron nitride nanotubes are chosen as model reactants, and (10,0) and (6,6) are chosen as representatives of armchair and zigzag nanotubes, respectively, to study the interaction of carbenes of the type :CX2. It is found that, contrary to the case of carbon nanotubes, boron nitride tubes, particularly armchair BNNTs, do not show a propensity for cyclopropane ring formation. The SW...

We report a high yield synthesis of single-wall boron nitride nanotubes (SWBNNTs) inside single-wall carbon nanotubes (SWCNTs), a nano-templated reaction, using ammonia borane complexes (ABC) as a precursor. Transmission electron microscope (TEM), high angle annular dark field (HAADF)-scanning TEM (STEM), electron energy loss spectra (EELS) and high resolution EELS mapping using aberration-corr...

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...

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...

in this article, the bending and free vibration analysis of functionally graded (fg) nanocomposites timoshenko beam model reinforced by single-walled boron nitride nanotube (swbnnt) using micro-mechanical approach embedded in an elastic medium is studied. the modified coupled stress (mcst) and nonlocal elasticity theories are developed to take into account the size-dependent effect. the mechani...

In this article, the bending and free vibration analysis of functionally graded (FG) nanocomposites Timoshenko beam model reinforced by single-walled boron nitride nanotube (SWBNNT) using micro-mechanical approach embedded in an elastic medium is studied. The modified coupled stress (MCST) and nonlocal elasticity theories are developed to take into account the size-dependent effect. The mechani...