Using density functional theory, we present the effect of different structural defects on
electronic and optical properties of blue phosphorene nanotubes of both armchair and …

The adsorption of ammonia molecules (NH 3) on the surfaces of (4, 4) boron nitride
nanotubes (BNNTs), in presence and absence of applied static electric field (SEF, 0.03-z …

In this work, the effects of small uni-axial and bi-axial strains and vertical electric field on the
band dispersion and dielectric response of germanene are studied by density functional …

Tuning the electronic properties of two-dimensional materials is essential for the
development of new generation of nano-based devices. Here, we show by first-principles …

The electronic properties of pure and carbon doped zigzag and armchair Boron Nitride
Nanotubes (BNNTs) have been investigated based on tight binding formalism. It was found …

In this work, we have theoretically studied the changes in electrical properties of two different
geometrical structures of carbon nanotubes upon oxygen doping. We used different doping …

The aim of present study is to investigate the effect of external electric field on the elastic and
structural properties of a (3, 3) armchair boron nitride nanotube (BNNT). To accomplish this …

By using the third nearest neighbor modified tight binding (3NN-TB) method, the electronic
structure and band gap of BNNRs under transverse electric fields are explored. The band …

By using the tight binding approximation and Green function method, the electronic
structure, density of state, electrical conductivity, heat capacity of BN and BN/graphene …

Molecular structure, vibrational and electronic absorption spectra, chemical reactivity of
energetic compound FOX-7, one of the most widely used explosives, were studied …