The effect of divacancies on the stability, structural and electronic properties of carbon and boron nitride nanotubes is studied using the ab initio density functional method. V(B)B(N) is more stable in the boron-rich and less stable in the nitrogen-rich growth conditions, and V(N)N(B) is more stable in the nitrogen-rich than in the boron-rich conditions. We find that stoichiometric defects V(...

Defects play a key role in determining the properties and technological applications of nanoscale materials and, because they tend to be highly localized, characterizing them at the single-defect level is of particular importance. Scanning tunnelling microscopy has long been used to image the electronic structure of individual point defects in conductors, semiconductors and ultrathin films, but...

This paper reports on characterization techniques for electron emission from potassiumintercalated boron nitride-modified graphitic petals (GPs). Carbon-based materials offer potentially good performance in electron emission applications owing to high thermal stability and a wide range of nanostructures that increase emission current via field enhancement. Furthermore, potassium adsorption and ...

Submitted for the MAR13 Meeting of The American Physical Society Topological phase transition in hexagonal boron-nitride bilayers modulated by gate voltage1 GUOJUN JIN, XUECHAO ZHAI, Nanjing University — We study the gate-voltage modulated electronic properties of hexagonal boron-nitride bilayers with two different stacking structures in the presence of intrinsic and Rashba spin-orbit interacti...

The aim of the present review is to highlight the state of the art in high-pressure design of new advanced materials based on boron nitride. Recent experimental achievements on the governing phase transformation, nanostructuring and chemical synthesis in the systems containing boron nitride at high pressures and high temperatures are presented. All these developments allowed discovering new mat...

Adsorption of transition atoms on a (8,0) zigzag single-walled boron nitride (BN) nanotube has been investigated using density-functional theory methods. Main focuses have been placed on configurations corresponding to the located minima of the adsorbates, the corresponding binding energies, and the modified electronic properties of the BN nanotubes due to the adsorbates. We have systemically s...

A first-principles formalism is employed to investigate the interaction of iron oxide (FeO) with a boron nitride (BN) nanotube. The stable structure of the FeO-nanotube has Fe atoms binding N atoms, with bond length of roughly ~2.1 Å, and binding between O and B atoms, with bond length of 1.55 Å. In case of small FeO concentrations, the total magnetic moment is (4 μ(Bohr)) times the number of F...

Devices made from graphene encapsulated in hexagonal boron-nitride exhibit pronounced negative bend resistance and an anomalous Hall effect, which are a direct consequence of room-temperature ballistic transport at a micrometer scale for a wide range of carrier concentrations. The encapsulation makes graphene practically insusceptible to the ambient atmosphere and, simultaneously, allows the us...

We have synthesized boron nitride nanotubes (BNNTs) in an arc in presence of boron and nitrogen species only, without transition metals. We find that BNNTs are often attached to pure boron nanoparticles, suggesting that root-growth is a likely mechanism for their formation. To gain further insight into this process we have studied key mechanisms for root growth of BNNTs on the surface of a liqu...

We perform ab initio density functional calculations to study the flow of water, methanol, and dimethyl ether through nanotubes carbon boron nitride with different diameters chiralities. The liquids we choose are important solvents, water methanol being polar nonpolar. In terms activation barriers for liquid transport, find molecular-level drag decrease decreasing nanotube diameter but be rathe...