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...

The monitoring and controlling of environmental pollutions are very important in biological and industrial processes, and a great interest is growing with the development of suitable gas–sensitive materials and hazardous chemical removal devices. In this work, the highly parameterized, empirical exchange–correlation functional M06–2X were employed to investigate the electronic sensitivity of pe...

The adsorption behavior of the anti-neurodegenerative drug Levodopa (LD) on pristine and aluminum-doped (Al-doped) boron nitride nanotubes (BNNTs) has been investigated in current study using density functional theory (DFT) approach at B3LYP/6-31G** level theory. aim was to improve expand carriers used biomedical systems, i.e., delivery systems. binding qualities pure doped BNNT complexes as ad...

influence of aluminum, gallium, indium- doping on the boron-nitride nanotubes (bnnts) investigated with density functional theory (dft) and hartreefock (hf) methods. for this purpose, the chemical shift of difference atomic nucleus was studied using the gauge included atomic orbital (giao) approch. in the following, structural parameter values, electrostatic potential, thermodynamic parameters,...

Single- and multi-walled molybdenum disulfide (MoS$_2$) nanotubes have been coaxially grown on small diameter boron nitride (BNNTs) which were synthesized from heteronanotubes by removing single-walled carbon (SWCNTs), systematically investigated optical spectroscopy. The strong photoluminescence (PL) MoS$_2$ supported core BNNTs is observed in this work, evidences a direct band gap structure f...

Abstract One of the foremost challenges in boron nitride nanotube (BNNT) community is selective separation BNNTs from as-produced mixture various hexagonal BN (hBN) phases. Recently, a polymer with pyridine group, poly(4-vinylpyridine) (P4VP) has proven to be effective for BNNT dispersion. Here, we performed all-atom molecular dynamics simulations elucidate dispersion mechanism by characterizin...

Abstract Herein, we apply a one-step filtration method to obtain boron nitride nanotube (BNNT)-based fabrics incorporating high content of BNNTs and an adhesive thermoplastic polyurethane (TPU). The adsorption behavior TPU on different qualities functionalized was evaluated in two-solvent system contrasted with carbon nanotubes, pointing differences surface interaction. BNNT quality affected no...

Boron nitride nanoribbons (BNNRs) have very attractive electrical and optical properties due to their unique edge states and width-related properties. Herein, for the first time, BNNRs were produced by a simple reflux of boron nitride nanotubes (BNNTs) in nitric acid containing water, which had led to unzipped sidewalls through hydrolysis. Their high reactivity that originated from edges was ve...

the structure and the electronic properties of single-walled zigzag bn and b3c2n3 nanotubes (n, 0; n=4–10) were investigated using first-principles calculations based on a density functional theory. a plane–wave basis set with periodic boundary conditions in conjunction with vanderbilt ultrasoft pseudo-potential was employed. the energy gap of zb3c2n3nts was calculated and compared with the cor...