Stabilizations and atomic level quadrupole coupling constant (CQ) properties have been investigated for graphene–like monolayers (G–monolayers) of boron nitride (BN), boron phosphide (BP), aluminum nitride (AlN), and aluminum phosphide (AlP) structures. To this aim, density functional theory (DFT) calculations have been performed to optimize the model structures and also to evaluate the CQ para...

In the present study, free vibration behaviors of of carbon nanotube (CNT) and boron nitride nanotube (BNNT) have been investigated via Eringen’s nonlocal continuum theory. Size effect has been considered via nonlocal continuum theory. Nanotubes have become popular in the world of science thanks to their characteristic properties. In this study, free vibrations of Boron Nitride Nanotube (BNNT) ...

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 ...

A corona discharge is used to create and store negative charge in the silicon nitride films of silicon dioxide/silicon nitride stacks. Effective lifetime measurements on both textured and planar, as well as both boron diffused and undiffused silicon samples passivated with silicon oxide/silicon nitride stacks, show that the creation of negative charge in the nitride layer results in an improvem...

We present theoretical evidence, based on total-energy first-principles calculations, of the existence of spin-polarized states well localized at and extended along the edges of bare zigzag boron nitride nanoribbons. Our calculations predict that all the magnetic configurations studied in this work are thermally accessible at room temperature and present an energy gap. In particular, we show th...

Highly porous boron nitride nanosheets (BNNSs) were tested as a re-usable adsorbent for the removal of pharmaceuticals from aqueous solution. The BNNSs exhibit both unprecedentedly high adsorption capacities and excellent recyclability while maintaining their high adsorption capacity by a simple regeneration process. These advantages render BNNSs a promising material for water remediation appli...

We performed calculations of electronic, optical, and transport properties of graphene on hexagonal boron nitride with realistic moiré patterns. The latter are produced by structural relaxation using a fully atomistic model. This relaxation turns out to be crucially important for electronic properties. We describe experimentally observed features such as additional Dirac points and the "Hofstad...

High growth temperatures (>1100 degrees C), low production yield, and impurities have prevented research progress and applications of boron nitride nanotubes (BNNTs) in the past 10 years. Here, we show that BNNTs can be grown on substrates at 600 degrees C. These BNNTs are constructed of high-order tubular structures and can be used without purification. Tunneling spectroscopy indicates that th...

A direct and metal layer-free growth of flat graphene pads on exfoliated hexagonal boron nitride substrate (h-BN) are demonstrated by atmospheric chemical vapour deposition (CVD) process. Round shape with high flatness graphene pads are grown in high yield (∼95%) with a pad thickness of ∼0.5 nm and homogenous diameter.

The energetic and electronic properties of acetylenic-bond-interconnected hexagonal boron nitride sheets (BNyne), in which the number of rows of BN hexagonal rings (denoted as BN width) between neighboring arrays of acetylenic linkages increases consecutively, have been explored using first-principles calculations. Depending on the spatial position of B/N atoms with respect to the acetylenic li...