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...

Polymer-derived ceramics (PDCs) such as silicon oxycarbide (SiOC) have shown promise as electrode materials for rechargeable Li-ion batteries (LIBs) owing to the synergy between their disordered carbon phase and hybrid bonds of silicon with oxygen and carbon. This study describes the synthesis and characterization of a new type of PDC composite comprising SiOC embedded with varying wt% of boron...

Nanostructures of boron nitride have attracted a great deal of interest due to their potential applications that comprise a broad range of topics, including biomedical technology, since it presents good chemical stability and suggests good biological inertia. This paper reports a facile and effective synthesis based on CVD process with new conditions to produce boron nitride nanotubes in higher...

In this study interaction of phenothiazine sulfur dye with (5, 5) armchair open-end boron nitride nanotubes (BNNTs) in interaction (with a length of 7 Å) was investigated. The impacts of the estereoelectronic effect associated with donor-acceptor electron delocalizations, dipole-dipole interactions and total steric exchange energies on the structural and electronic properties and reactivity of ...