In this work facile sol-gel (pechni) method has been successfully established to synthesize Zn4B6O13 nanocrystals which have cubic crystals with lattice parameter: a =7.48 A. The structure and morphology of the obtained material were studied by X-ray diffraction (XRD), Infrared spectra (IR), scanning electron microscopy (SEM) and photoluminescence analysis. The experimental results show a band ...

Water splitting for hydrogen production under sunlight using TiO2 as photo catalyst provides a better route for solar energy and attracts the attention of many researchers. The photo catalytic activity of TiO2 under sunlight irradiation depends on the band gap energy. The transition metal doped TiO2 shows an edge over TiO2 in optical absorbance and photo catalytic activity. Thin film of Cr dope...

Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory are computed using a first-principles theory based upon the generalized-gradient approximation to the dens...

In this work facile sol-gel (pechni) method has been successfully established to synthesize Zn4B6O13 nanocrystals which have cubic crystals with lattice parameter: a =7.48 A. The structure and morphology of the obtained material were studied by X-ray diffraction (XRD), Infrared spectra (IR), scanning electron microscopy (SEM) and photoluminescence analysis. The experimental results show a band ...

the density functional theory (dft) and the natural bond orbital (nbo) calculations basedmethod b3lyp/6-31g* were carried out to study the interaction of carbon nanotube (8,0) withnitrobenzene in two situations perpendicular and parallel. formation energies of compounds,charges, the highest occupied molecular orbital (homo) and the lowest unoccupied molecular'orbital (lumo) and the homo-lumo ba...

Electro-hydraulic systems with regards to the their specific features and applications among other industrial systems including mechanical, electrical and pneumatic systems, have been widely taken into consideration by the scientists and researchers. Due to the fact that the electro-hydraulic system is inherently a nonlinear system, has some problems such as signals saturation, nonlinear effici...

In this work we use density functional theory based on the ultra-soft pseudo-potential to calculate thestructural, mechanical and thermal properties of narrow single walled BN, AlN and GaN nanotubes.The electron-electron interactions were expressed within the local density approximation (LDA). Wehave also obtained the Phonon dispersion and elastic constants of these nanotubes using the densityf...