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Computational modeling study on the physical properties of Pd doped BaTiO3 perovskite

This contribution investigates structural, electronic, and optical properties of cubic barium titanate (BaTiO3) perovskites using first-principles calculations of density functional theory (DFT). Generalized gradient approximations (GGA) alongside with PW91 functional have been implemented for the exchange–correlation potential. The obtained results display that BaTiO3 exhibits a band gap of 3.21 eV which agrees well with the previously experimental and theoretical literature. Interestingly, our results explore that when replacing Pd atom with Ba and Ti atoms at 0.125 content a clear decrease in the electronic band gap of 1.052 and 1.090 eV located within the visible range of electromagnetic wavelengths (EMW). Optical parameters such as absorption, reflectivity, the real and imaginary components of the dielectric function, Loss function, reflective index, extinction coefficient were calculated. Thus, the current findings reveal that Pd–BaTiO3 is a promising composition to be synthesised experimentally for various optoelectronic applications. The predicted negative formation energies values of the inspected structures are indicating to exothermic formation process of such materials and more interestingly indicating also to the stability and possibility of synthesizing such materials experimentally.

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Publication Date
Tue Jun 01 2021
Journal Name
Baghdad Science Journal
Synthesis, Characterization and Gas Sensor Application of New Composite Based on MWCNTs:CoPc:Metal Oxide

The synthesis of new substituted cobalt Phthalocyanine (CoPc) was carried out using starting materials Naphthalene-1,4,5, tetracarbonic acid dianhydride (NDI) employing dry process method. Metal oxides (MO) alloy of (60%Ni3O4 40%-Co3O4 ) have been functionalized with multiwall carbon nanotubes (F-MWCNTs) to produce (F-MWCNTs/MO) nanocomposite (E2) and mixed with  CoPc to yield (F-MWCNT/CoPc/MO) (E3). These composites were investigated using different analytical and spectrophotometric methods such as 1H-NMR (0-18 ppm), FTIR spectroscopy in the range of (400-4000cm-1), powder X-rays diffraction (PXRD, 2θ o = 10-80), Raman spectroscopy (0-4000 cm-1), and UV-Visib

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Publication Date
Thu Jun 30 2011
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
CRACKING ACTIVITY OF PREPARED Y-ZEOLITE CATALYST USING CUMENE ON FLUIDIZED BED REACTOR

The catalytic activity of faujasite type NaY catalysts prepared from local clay (kaolin) with different Si/Al ratio was studied using cumene cracking as a model for catalytic cracking process in the temperature range of 450-525° C, weight hourly space velocity (WHSV) of 5-20 h1, particle size ≤75μm and atmospheric pressure. The catalytic activity was investigated using experimental laboratory plant scale of fluidized bed reactor.
It was found that the cumene conversion increases with increasing temperature and decreasing WHSV. At 525° C and WHSV 5 h-1, the conversion was 42.36 and 35.43 mol% for catalyst with 3.54 Si/Al ratio and Catalyst with 5.75 Si/Al ratio, respectively, while at 450° C and at the same WHSV, the conversion w

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Publication Date
Sun Dec 29 2019
Journal Name
Iraqi Journal Of Science
On A Certain Class of Meromorphic Multivalent Functions Defined by Fractional Calculus Operator

    In this work, we study a new class of meromorphicmultivalent functions, defined by fractional differ-integral operator.We obtain some geometricproperties, such ascoefficient inequality, growth and distortion bounds, convolution properties, integral representation, radii of starlikeness, convexity, extreme pointsproperties, weighted mean and arithmetic meanproperties.

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Publication Date
Sun May 14 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Effect of Yogurt and Bifidobacterium on Cryptosporidium parvum Infection In Experiential Infected Mice

        This study aimed to collected 150 feces sample from calves suffering sever diarrhea ,then there were isolation and purification of Cryptosporidium parvum oocyst from samples contain it. These oocysts were used to induce experimental infection in the Immunosupperessed mice, then the mice treated by Bifidium bacteria , its supernatant and local yogurt were used for bacterial isolation.

       This study showed that the local yogurt was the best treatment which led to stop oocyst shedding from the mice in the 8th day after treatment under sufficient treatment (89.72%) , at the same time the mice treated with bacteria stopped the oocyst shedd

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Publication Date
Sun Sep 01 2013
Journal Name
Baghdad Science Journal
Synthesis of N-benzothiazole derivative imide on polymeric chain, have possible biological activity

In this reserch Some new substituted and unsubstituted poly imides compounds. were synthesized by reaction of acrylol chloride with different amides (aliphatic and aromatic) in a suitable solvent in the presence amount triethyl amine (Et3N) with heating. The Structure confirmation of all polymers were confirmed using FT-IR,1H-NMR,13C-NMR and UV spectroscopy. Thermal analysis (TG) for some polymers showed their thermal stabilities. Other physical properties including softening points, melting point and solubility of the polymers were also measured

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Publication Date
Wed Jul 21 2010
Journal Name
Veterinary Medical Journal Giza
Efficacy of some drugs and pathological studies on Toxoplasma gondii infection in mice.

The study was conducted to determine the effect Toxoplasma gondii and the efficacy of azithromycin and garlic tablets on the treatment of acute murine toxoplasmosis and observe the histopathological changes due to infection. 60 Albino mice were divided into six groups, and their survival rate, pathology, bioassay trial and immunofluorescence were observed. Results revealed that azithromycin (250 mg/kg/day) given to infected mice increased the survival rate (90% on day 7 PI) and decreased the histopathological changes when compared with the control groups. Garlic tablets (500 mg/kg/day) had lesser effect on infected mice, and the survival rate (40% at days 6 and 7 PI) was lower than the groups treated with azithromycin. The group treated wit

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Publication Date
Tue Mar 01 2016
Journal Name
Optics Communications
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Publication Date
Sun Jan 30 2022
Journal Name
Iraqi Journal Of Science
Enhancement of Digital Stereo Vision Images based on Histogram and Gamma Correction Strategy

     Image contrast enhancement methods have been a topic of interest in digital image processing for various applications like satellite imaging, recognition, medical imaging, and stereo vision. This paper studies the technique for image enhancement utilizing Adaptive Histogram Equalization and Weighted Gamma Correction to cater radiometric condition and illumination variations of stereo image pairs. In the proposed method, the stereo pair images are segmented together with weighted distribution into sub-histograms supported with Histogram Equalization (HE) mapping or gamma correction and guided filtering.  The experimental result shows the experimented techniques outperform compare with the original image in ev

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Publication Date
Tue Oct 08 2002
Journal Name
Iraqi Journal Of Laser
Cross-focusing Effect of Two Intense Laser Beams on Electron Plasma Wave Excitation

This paper presents the effect of relativistic and ponderomotive nonlinearity on cross-focusing of two intense laser beams in a collisionless and unmagnetized plasma. It should be noted here that while considering the self-focusing due to relativistic electron mass variation, the electron ponderomotive density depression in the channel may also be important. Therefore/these two nonlinearties may simultaneously affect the self-focusing process. These nonlinearities depend not only on the intensity of one laser but also on the second laser. Therefore, one laser beam affects the dynamics of the second beam and hence the process of cross-focusing takes place. The electric field amplitude of the excited electron plasma wave (EPW) has been cal

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Publication Date
Thu Jul 25 2019
Journal Name
Journal Of Plant Protection Research
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