This contribution aims to investigate volume-dependent thermal and mechanical properties of the two most studied phases of molybdenum nitride (c-MoN and h-MoN) by means of the quasi-harmonic approximation approach (QHA) via first-principles calculations up to their melting point and a pressure of 12 GPa. Lattice constants, band gaps, and bulk modulus at 0 K match corresponding experimental measurements well. Calculated Bader’s charges indicate that Mo–N bonds exhibit a more ionic nature in the cubic MoN phase. Based on estimated Gibbs free energies, the cubic phase presents thermodynamic stability higher than that detected for hexagonl, with no phase transition observed in the selected T–P conditions as detected experimentall

Polyacrylonitrile:Polypyrole (PAN:PPy) undoped and doped with graphene Nano composites were synthesized using casting methods. Optical properties were utilized to describe the effect of composite ratio PAN/PPy as well as doping with Nanoscale graphene on the energy gap and the optical constants. PAN/PPy undoped and doped with Nanoscale graphene was used to detect gas nitrogen dioxide. In this article, the effect of mixing PAN with PPy at different weight ratios without addition and with the addition of 2% nanoscale graphene to the previous mixture on gas sensing performance on a large scale is explored. The results showed that doping with graphene enhanced the performance of gas sensing properties. Moreover, the article whic

This research is presenting a study of optical and structural properties of (Fe2O3)1-x(MgO)x composites synthesized as thin film that can be used as a gas sensor. Pulsed laser deposition technique was used to prepare thin films of (Fe2O3)1-x(MgO)x. The pattern of X-ray diffraction of the composites powder showed the consistency of iron oxide (α-Fe2O3) hematite phase along with the planes (104) and (110) as preferred planes for crystal growth where the intensities of which varied with MgO content. The crystal size of the thin film material was varied in between (26.8-35.1) nm. The diffraction pattern of the pulsed laser deposited thin films was absent from any diffraction peaks. The maximum transparency obtained of hematite

The research is concerned about studying the absorption spectrum of the solution coumarin dye C47. The chloroform solvent was used with C47 dye in three different concentrations 10-4, 10-5 and 10-6 M. The laser dye solution was prepared by dissolving the required amount of dye in chloroform alcohol, while studying absorption spectrum before and after irradiation with gamma ray by cobalt-60 source 60Co at exposure time, which are 0, 4, 6 and 18 hours with different absorbed doses 0, 136, 204 and 612 Gy. The results show that red shift in the absorption spectrum was increased by increasing the concentration of laser dye solutions , while the increase of gamma dose led to increase the red shift after irradiation, as the exposure period and irr

A progression of Polyaniline (PANI) and Titanium dioxide (TiO₂) nanoparticles (NPs) were prepared by an in-situ polymerization strategy within the sight of TiO₂ NPs. The subsequent nanocomposites were analyzed using Fourier-transform infrared spectra (FTIR), X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), and Energy Dispersive X-Ray Analysis (EDX) taken for the prepared samples. PANI/TiO₂ nanocomposites were prepared by various compound materials (with H₂SO₄ 0.3 M and without it, to compare the outcome of it) by the compound oxidation technique using ammonium persulfate (APS) as oxidant within the sight of ultrafine grade powder of TiO₂ cooled in an ice bath.

The annealing temperature (200–500 °C) effects of optical frequency response on the dielectric functions of sol–gel derived CuCoOx thin film coatings: experimental and modelling.