The influence of Cr3+ doping on the ground state properties of SrTiO 3 perovskite was evaluated using GGA-PBE approximation. Computational modeling results infered an agreement with the previously published literature. The modification of electronic structure and optical properties due to Cr3+ introducing into SrTiO 3 were investigated. Structural parameters assumed that Cr3+ doping alters the electronic structures of SrTiO 3 by shifting the conduction band through lower energies for the Sr and Ti sites. Besides, results showed that the band gap was reduced by approximately 50% when presenting one Cr3+ atom into the SrTiO 3 system and particularly positioned at Sr sites. Interestingly, substituting Ti site by Cr3+ led to eliminating the band gap indicated a new electrical case of transferring semiconducting material into a conducting material which intern enhance conductivity. Furthermore, it was found that Cr 3+ doping either at Sr or Ti positions could effectively develop the SrTiO3 dielectric constant properties. In addition, the absorption spectra was extended to cover the visible light region of the electromagnetic radiation, indicating the capability of this compound in harvesting sunlight for solar cell applications. Consequently, it can be said that Cr 3+ is an effective dopant which opening up new prospects for various industrial and technological applications.
Pure Polyaniline salt, and protonation PANI by H2SO4 were synthesized by electro-chemical oxidative polymerization of aniline with acidity of H2SO4. The solution was prepared in reaction temperature equal 291 K and the acidity of aqueous solution was 1 molarities. The prepared polyaniline was characterized by FT-IR, the result indicate that the intensity is increase with increasing of applied voltage. The dc conductivity has been measured for bulk polyaniline pure and doped in the form of compressed pellet with evaporated Ohmic Al electrodes in temperature range (303-423) K. The Eav energy of the thermal rate process of the electrical conductivity was determined. The results indicate that the dc conductivity of doped samples are two or t
... Show MorePolyaniline (PANI) has been prepared by the oxidation method in order to fabricate it with various concentrations of copper nanoparticles (CuNPs) which produced using the reduction method. Various techniques have characterized pure PANI and PANI doped CuNPs composites, such as fourier transform infrared spectroscopy (FT-IR), X-ray diffraction spectroscopy (XRD), field emission scanning electron microscopy (FE-SEM) and energy dispersive X-ray spectroscopy (EDS), which were provided important information about the structure and morphology of the fabricated polymer nanocomposites. The properties of dielectric permittivity (έ), dielectric loss (ἔ) and electrical conductivity (σ_AC) properties were studied at room temperature versus a range
... Show MoreCopper with different concentrations doped with zinc oxide nanoparticles were prepared from a mixture of zinc acetate and copper acetate with sodium hydroxide in aqueous solution. The structure of the prepared samples was done by X-ray diffraction, atomic force microscopy (AFM) and UV-VIS absorption spectrophotometer. Debye-Scherer formula was used to calculate the size of the prepared samples. The band gap of the nanoparticle ZnO was determined by using UV-VIS optical spectroscopy.
The inhibition of 3-Benzyl -2-mercaptoquinoizoline -4 (3H)-one (BMQ) on the corrosion of carbon steel in 0.5 M HCl studied by potentionstat polarization methods at 303–333 K. Results obtained show that BMQ act as inhibitor for carbon steel in HCl solution. The inhibition efficiency increase with increase in BMQ concentration. Activation parameters and Gibbs free energy for the adsorption process using Statistical Physics calculated and discussed. Quantum chemical calculations using DFT at the B3LYP/6-31G level of theory were used to calculate some electronic properties of the molecule to verify any correlation between the inhibitive effect and molecular structure of BMQ. The quantum calculations were proceeded to get data around correlati
... Show MoreABSTRACT : A new ligand [ 2- (3-acetylthioureido)-3-phenylpropanoic acid (APA) is synthesized by reaction of acetyl isothiocyanate with phenylalanine (1:1). It is characterized by micro elemental analysis (C.H.N.S.), FT-IR, (UV-Vis) and 1H and 13CNMR spectra. Some metals ions complexes of this ligand were prepared and characterized by FT-IR, UV-Visible spectra, conductivity measurements, magnetic susceptibility and atomic absorption. From results obtained, the following formula [M(APA)2] where M2+ = Mn, Co, Ni, Cu, Zn, Cd and Hg, the proposed molecular structure for these complexes as tetrahedral geometry, except copper complex is has square planer geometry.
The study of services in villages is one of the imperative matters that must be focused on, because it leads to increased attention, which reduces the differences between the countryside and the urban. The extent of its.
It is well known that community services need to be reached by a person, unlike the anchor services that reach people, here the population distribution plays an important and prominent role in signing these services, so the dispersed distribution pattern and the gathering pattern appeared in the distribution, thus an effect on the time and distance that the person walked to obtain The services are community-based. Therefore
... Show MoreThe Maxwell equations have been formulated for a composite slab waveguide at x-band wave propagation. The eigenvalues of the system equations are obtained by using MATLAB program. These eigenvalues are used to obtain the wave propagation constant and a number of modes inside the slabs. A good correspondence was seen between the number of modes and the cut off thickness. The parameter that affects the performance of waveguide is the slab thickness. The propagation constant is usually adopted to characterize this type of waveguide and show how the cutoff frequency of the mode in the slab is increased dramatically by decreasing the frequency.
Our study focused on lower modes, the results for the transmission coefficient are then used to
Biological samples of mother's milk were collected from Iraqi southern provinces(Basrah,Messan,al-Muthana,Thikar)and Baghdad province to measure uranium concentration of the samples by using track technique of fission fragments as a result from uranium atom fission with thermal neutrons from neutrons source 24 I Am-Be with activity 16Ci and neutron flux of 5000 n/cm2.s on using nuclear track detector CR-39 It was found that the high percentage of depleted uranium concentration on the samples from Muthana province , which accounted as 4.183ppm therefore the samples was taken from the provinces (Thikar,Basrah,Baghdad),which was accounted the depleted uranium concentration as following (1.243,2.172,2.875) ppm respectively, with appear a small
... Show MoreOne of the important objectives of the varistor is for a sustainable environment and reduce the pollution resulting from the frequent damage of the electrical devices and power station waste. In present work, the influence of Al2O3 additives on the non –linear electrical features of SnO2 varistors, has been investigated, where SnO2 ceramic powder doped with Al2O3 in three rates (0.005, 0.01, and 0.05), the XRD test improved that SnO2 is the primary phase, while CoCr2O4, and Al2O3 represent the secondary phases. The electrical tests of all prepared samples confirmed that the increasing of Al2O3 rates and sintering temperature improves and increase the electrical features, where the best results obtained at Al2O3 (0.05) and 1000℃, the non
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