Hexagonal boron nitride (h-BN) is a layered material with a graphite-like structure in which
planar networks of BN hexagons are regularly stacked. As the structural analogue of a …

This article presents an overview of the up-to-date developments in boron nitride nanotubes
(BNNTs), including theory, fabrication, structure, physical properties, chemical …

Using a set of first-principles calculations, we studied the electronic structures of two-
dimensional transition metal carbides and nitrides, so called MXenes, functionalized with F …

The electronic properties of BN nanosheets and nanoribbons doped with organic molecules
with strong electron-donating or accepting abilities were investigated by means of density …

Boron nitride nanotubes (BNNTs) have been synthesized by various methods over the last
two decades. Among the various growth techniques, chemical vapor deposition (CVD) is …

Two-dimensional boron (borophene) features structural polymorphs and distinct in-plane
anisotropy, opening opportunities to achieve tailored electronic properties by intermixing …

The adsorption of H2O, NH3 and HCOOH as polar probe molecules and C6H6 and CH4 as
non-polar ones on a series of zig-zag (n, 0) single-walled boron nitride nanotubes (BNNTs) …

In this paper, we explored computationally the feasibility of modulating the bandgap in a
single-wall BN nanotube (BNNT) upon noncovalent adsorption of organic molecules …

Since the discovery of metals encapsulated into multi-walled carbon nanotubes (CNTs),
such sheathed structures attracted extensive interest with respect to the development of …

The geometries and electronic properties of tubiform [n] boron nitride clusters entrapping Li2
(Li2@ BN‐cluster (n, 0); n= 4–8), obtained by doping BN‐cluster (n, 0) with Li2 molecules …