magnesium oxide nanotubes of finite length are investigated by the density functional theory (dft) at the b3lyp/6-31g (d) level. the (6, 0) zigzag and (4, 4) armchair of mgo nanotubes were considered and nuclear magnetic resonance properties including isotropic and anisotropic chemical shielding parameters (csi and csa) were calculated for 25mg and 17o atoms of the optimized structures for the ...

We study edge states in AB-stacked bilayer graphene (BLG) ribbon where the Chern number of corresponding two-dimensional (2D) bulk Hamiltonian is zero. The existence and topological features when two layers ended with same or different terminations (zigzag, bearded, armchair) are discussed. (non-dispersive bands near Fermi level) localized at nanoribbon that only exists certain range momentum $...

With the advent of nanotechnology in the last decades, there has been an increased number of researches related to the development and application of nanostructures, in special, nanotube. The inorganic nanotubes, such as GaN, AlN and InN, have been studied due to their interesting characteristics, for instance good dielectric properties, good thermal conductivity [1], low displacement density, ...

The atomic structure of graphene edges is critical in determining the electrical, magnetic and chemical properties of truncated graphene structures, notably nanoribbons. Unfortunately, graphene edges are typically far from ideal and suffer from atomic-scale defects, structural distortion and unintended chemical functionalization, leading to unpredictable properties. Here we report that graphene...

Black phosphorus has been revisited recently as a new two-dimensional material showing potential applications in electronics and optoelectronics. Here we report the anisotropic in-plane thermal conductivity of suspended few-layer black phosphorus measured by micro-Raman spectroscopy. The armchair and zigzag thermal conductivities are ∼20 and ∼40 W m(-1) K(-1) for black phosphorus films thicker ...

Chemical sputtering of hydrogen atom on graphite was simulated using molecular dynamics. Especially, the layer structure of the graphite was maintained by interlayer intermolecular interaction. Three kinds of graphite surfaces, flat (0 0 0 1) surface, armchair (1 1 2 0) surface and zigzag (1 0 1 0) surface, are dealt with as targets of hydrogen atom bombardment. In the case of the flat surface,...