The impact of decorating Fe, Ru, Rh, and Ir metals upon the sensing capability of a gallium nitride nanotube (GaNNT) in detecting chlorine trifluoride (CT) was scrutinized using the density functionals B3LYP and B97D. The interaction of the pristine GaNNT with CT was a physical adsorption with the sensing response (SR) of approximately 6.9. After decorating the above-mentioned metals on the GaNNT, adsorption energy of CT changed from −5.8 to −18.6, −18.9, −19.4, and −20.1 kcal/mol by decorating the Fe, Ru, Rh, and Ir metals into the GaNNT surface, respectively. Also, the corresponding SR dramatically increased to 39.6, 52.3, 63.8, and 106.6. This shows that the sensitivity of the metal-decorated GaNNT (metal@GaNNT) increased by increasing the atomic number of metals. As energy decomposition analysis revealed, the electrostatic, also known as cation-lone pair interaction, was mostly the nature of the interaction between the CT and metal@GaNNT.
Functionalized-multi wall carbon nanotubes (F-MWCNTs) and functionalized-single wall carbon nanotubes (F-SWCNTs) were well enhanced using CoO Nanoparticles. The sensor device consisted of a film of sensitive material (F-MWCNTs/CoONPs) and (F-SWCNTs/CoO NPs) deposited by drop- casting on an n-type porous silicon substrate. The two sensors perform high sensitivity to NO2 gas at room temperatures. The analysis indicated that the (F-MWCNTs/CoONPs) have a better performance than (F-SWCNTs/CoONPs). The F-SWCNTs/CoONPs gas sensor shows high sensitivity (19.1 %) at RT with response time 17 sec, while F-MWCNTs/CoONPs gas sensor show better sensitivity (39 %) at RT with response time 13 sec. The device shows a very reproducible sensor p
... Show MoreCurrent study was carried out to determine the adsorption ability of the Multiwall carbon nanotubes (MWCNTs) by adsorption Malachite Green dye from an aqueous solution. Crystal structure of the materials was measured using powder X-rays diffraction (PXRD), UV–Vis diffuse reflectance and specific surface area (BET). Many parameters that affecting the adsorption process such as contact time, pH, adsorbent dosage, initial dye concentration and temperature were studied. The outcome showed that an increasing occurred in the adsorbent dosage and the rate of dye removal, and the best efficiency for Malachite Green dye removal was amounted 99. 11 %. The results were obtained at optimal reaction conditions were pH = 5.5, cata
... Show MoreMWCNTs-OH was used to prepare a flexible gas sensor by deposition as a network on a filter cake using the method of filtration from suspension (FFS). The morphological and structural properties of the MWCNTs network were characterized before and after exposure to Freon gas using FTIR spectra and X-ray diffractometer, which confirmed that the characteristics of the sensor did not change after exposure to the gas. The sensor was exposed to a pure Freon134a gas as well as to a mixture of Freon gas and air with different ratios at room temperature. The experiments showed that the sensor works at room temperature and the sensitivity values increased with increasing operating temperature, to be 58% unt
... Show MoreThe current study uses the flame fragment deposition (FFD) method to synthesize carbon nanotubes (CNTs) from Iraqi liquefied petroleum gas (LPG), which is used as a carbon source. To carry out the synthesis steps, a homemade reactor was used. To eliminate amorphous impurities, the CNTs were sonicated in a 30 percent hydrogen peroxide (H2O2) solution at ambient temperature. To remove the polycyclic aromatic hydrocarbons (PAHs) generated during LPG combustion, sonication in an acetone bath is used. The produced products were investigated and compared with standard Multi-walled carbon nanotube MWCNTs (95%), Sigma, Aldrich, using X-ray diffraction (XRD), thermo gravimetric analysis (TGA), Raman spectroscopy, scanning el
... Show MoreThe goal of this work is to study plasma parameters for Fe plasma generated by exploding wire (EEW) in carbon nanotubes-water colloid with three current values (50, 100 and 150)A. In this research, the plasma electron temperature (Te), the electron density (ne), electron density (ne), plasma frequency(f p), Debye length (λD) and Debye number (ND) were found for Fe produced by Arc discharge plasma. Boltzmann plot was used to calculate the plasma electron temperature (Te);electron density (ne) was calculated from Stark broadening. It was found that the electron temperature values increased from (0.4
... Show MoreChlorine doped SnS have been prepared utilizing chemical spray pyrolysis. The effects of chlorine concentration on the optical constants were studied. It was seen that the transmittance decreased with doping, while reflectance, refractive index, extinction coefficient, real and imaginary parts of dielectric constant were increased as the doping percentage increased. The results show also that the skin depth decrease as the chlorine percentage increased which could be assure that it is transmittance related.
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Ab – initio density function theory (DFT) calculations coupled with Large Unit Cell (LUC) method were carried out to evaluate the electronic structure properties of III-V zinc blend (GaAs). The nano – scale that have dimension (1.56-2.04)nm. The Gaussian 03 computational packages has been employed through out this study to compute the electronic properties include lattice constant, energy gap, valence and conduction band width, total energy, cohesive energy and density of state etc. Results show that the total energy and energy gap are decreasing with increase the size of nano crystal . Results revealed that electronic properties converge to some limit as the size of LUC increase .