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THEORETICAL MODELING OF THE ELECTRONIC PROPERTIES CORE AND SURFACE OF CdSe1-xTex CHALCOGENIDE NANOCRYSTALS VIA DFT CALCULATION
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Publication Date
Thu Apr 28 2022
Journal Name
Iraqi Journal Of Science
Morphology and Electrical Properties Study of Nanocrystalline Silicon Surface Prepared By Electrochemical Etching
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In this work, nanostructure porous silicon surface was prepared using electrochemical etching method under different current densities. I have studied the surface morphology and photoluminescence (PL) of three samples prepared at current densities 20, 30 and 40 mA/cm2 at fixed etching time 10 min. The atomic force microscopy (AFM) images of porous silicon showed that the nanocrystalline silicon pillars and voids over the entire surface has irregular and randomly distributed. Photoluminescence study showed that the emission peaks centered at approximately (600 – 612nm) corresponding energies (2.06 – 2.02eV).
While current-voltage characteristics shows, as the current density increase the current flow in the forward bias is decreasi

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Publication Date
Mon Dec 06 2021
Journal Name
Iraqi Journal Of Science
Petrophysical Properties and Reservoir Modeling of Mishrif Formation at Amara Oil Field, Southeast Iraq
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Petrophysical properties of Mishrif Formation at Amara oil field is determined
from interpretation of open log data of (Am-1, 2 ,3 ,4 ,5 ,6 ,7 ,8 ,9 ,10 ,11 ,12
and13) wells. These properties include the total, the effected and the secondary
porosity, as well as the moveable and the residual oil saturation in the invaded and
uninvaded zones. According to petrophysical properties it is possible to divided
Mishrif Formation which has thickness of a proximately 400 m, into seven main
reservoir units (MA, MB11, MB12, MB13, MB21, MC1, MC2) . MA is divided into
four secondary reservoir units , MB11 is divided into five secondary reservoir units ,
MB12 is divided into two secondary reservoir units , MB13 is divided into

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Publication Date
Thu Feb 17 2022
Journal Name
Journal Of Discrete Mathematical Sciences And Cryptography
Calculation for the groups
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Publication Date
Fri Jan 01 2021
Journal Name
Materials Today: Proceedings
Study the electronic and spectroscopic properties of ALxB7-XN7 Wurtzoids as a function of size and concentration using density functional theory
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Electronic properties including (bond length, energy gap, HOMO, LUMO and density of state) as well as spectroscopic properties such like infrared, Raman scattering, force constant, reduced mass and longitu- dinal optical mode as a function of frequency are based on size and concentration of the molecular and nanostructures of aluminum nitride ALN, boron nitride BN and AlxB7-XN7 as nanotubes has calculated using Ab –initio approximation method dependent on density functional theory and generalized gradient approximation. The geometrical structure are calculated by using Gauss view 05 as a complementary program. Shows the energy gap of ALN, BN and AlxB7-XN7 as a function of the total number of atoms , start from smallest molecule to reached

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Publication Date
Fri Jan 01 2021
Journal Name
Materials Today: Proceedings
Study the electronic and spectroscopic properties of ALxB7-XN7 Wurtzoids as a function of size and concentration using density functional theory
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Publication Date
Mon Apr 01 2019
Journal Name
2019 4th Scientific International Conference Najaf (sicn)
Modeling and Experimental Research of Vibration N Properties of A Multi-Layer Printed Circuit Board
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Publication Date
Sun May 30 2021
Journal Name
Iraqi Journal Of Science
Theoretical study of a new oxazolidine -5- one derivative as a corrosion inhibitor for carbon steel surface
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A newly derivative of oxazolidin-5- one namely [2-(2-biphenyl-4-yl-imidazo [1,2-a] pyridine-3-yl)-3-(4-nitro-phenyl)-oxazolidin-5-one (BIPNO5)] was examined as an corrosion inhibitor for carbon steel surface. Quantum mechanical method of Density Functional Theory (DFT) with (B3LYP (6-311++G (2d, 2p)) level of theory was used to calculate the minimize structure, physical properties and inhibition chemical parameters, in vacuum and two solvents (DMSO and H2O), all at equilibrium geometry. The results indicated that the new derivative could adsorb on the surface of carbon steel through the heteroatom, showing that the new inhibitor has good corrosion inhibition performance.

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Publication Date
Fri Jun 01 2018
Journal Name
Materials Science-poland
Thermal and electrical properties of polyimide/PANI nanofiber composites prepared via in situ polymerization
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Abstract<p> Polyimide/polyaniline nanofiber composites were prepared by in situ polymerization with various weight percentages of polyaniline (PANI) nanofibers. X-ray diffraction (XRD) and Fourier transform infrared spectra (FT-IR), proved the successful preparation of PANI nanofiber composite films. In addition, thermal stability of PI/PANI nanofiber composites was superior relative to PI, having 10 % gravimetric loss in the range of 623 °C to 671 °C and glass transition temperature of 289 °C to 297 °C. Furthermore, the values of the loss tangent tanδ and AC conductivity σAC of the nanocomposite films were notably higher than those of pure polyimide. The addition of 5 wt.% to 15 wt.% PANI</p> ... Show More
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Publication Date
Sun Sep 29 2019
Journal Name
Iraqi Journal Of Science
Optical Properties of Mixed ZnO: Fe2O3 Grown via Pulsed laser deposition
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In this study, mixing of  zinc oxide (ZnO) nanoparticles with iron oxide(Fe2O3) at      (0, 0.1, 0.3, 0.5 and 1)%wt., are deposited on glass substrates by pulsed laser deposition (PLD) technique for study characterization ZnO:Fe2O3 as solar cell electrode. The profound effect of mixed film on the structural and optical of ZnO: Fe2O3 thin films was observed. Meanwhile, the films have polycrystalline Hexagonal structures for ZnO, Rhombohedra and cubic structure for Fe2O3, and as indicated by the X-ray diffraction patterns of the films. The mean crystallite size of ZnO increase with increasing mixed ratio. The direct energy

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Publication Date
Thu Jan 30 2020
Journal Name
Neuroquantology
Electronic Transfers and (NLO) Properties Predicted by AB Initio Methods with Prove Experimentally
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Hartree-Fock (HF) method relies in the calculations of nonlinear optical properties (NLO) for benzoic acid molecule. Also, another theoretical study is conducted by using the TD-DFT Density Functional Theory through B3LYP/High Base Set 6-311++G (2d,2p) on Gaussian program09. Moreover, an experimental study has been done to obtain the electrons spectrum for benzoic acid with and without ethanol. While the experimental study is done by using UV/VIS. spectrophotometer. Energy gap values of electronic transition between HOMO and LUMO is obtained from theoretical and experimental results. Consequently, the theoretical result for determining the energy gap calculated from EHOMO-LUMO wasvery close to the results of UV / VIS. spectrum. A theoretica

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