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Study of the Interaction Between Reduced Graphene Oxide and NO<sub>2</sub>Gas Molecules via Density Functional Theory (DFT)
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Electronic properties such as density of state, energy gap, HOMO (the highest occupied molecular orbital) level, LUMO (the lowest unoccupied molecular orbital) level and density of bonds, as well as spectroscopic properties like infrared (IR), Raman scattering, force constant, and reduced masses for coronene C24, reduced graphene oxide (rGO) C24O5and interaction between C24O5and NO2gas molecules were investigated. Density functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09 W software program was used to do these calculations. Gaussian view 05 was employed as a supplementary software to investigate the geometrical structure of C24, C24O5and the interaction of C24O5with NO2gas molecule. It shows the energy gap of coronene C243.5 eV because the effect of quantum confinement and the Coulomb interaction geometry greatly influence the quasi-particle band gap and C24Oxwhere x = 1–7 was from 0.89 eV to 1.6862 eV a function of number of oxygen atoms and compared with the experiment value of graphene oxide which was between 1 eV and 2.2 eV. The spectroscopic properties were compared with the experiment value of graphene, graphene oxide and NO2longitudinal optical (LO) modes of 1 585, 1 582 and 1 600 cm−1, respectively. The transition state of the interaction of rGO with nitrogen dioxide and Gibbs energy, enthalpy, activation entropy and reaction at various temperatures between 25°C and 100°C were calculated. The activation energy of C24O5with nitrogen dioxide decreases with increasing temperature.

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Publication Date
Sat Jan 05 2019
Journal Name
Iraqi Journal Of Physics
Characterization of (SnO2)1-x(TiO2:CuO)x films as NH3 gas sensor
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Tin dioxide (SnO2) were mixed with (TiO2 and CuO) with concentration ratio (50, 60, 70, 80 and 90) wt% films deposited on single crystal Si and glass substrates at (523 K) by spray pyrolysis technique from aqueous solutions containing tin (II) dichloride Dihydrate (SnCl2, 2H2O), dehydrate copper chloride (CuCl2.2H2O) and Titanium(III) chloride (TiCl3) with molarities (0.2 M). The results of electrical properties and analysis of gas sensing properties of films are presented in this report. Hall measurement showed that films were n-type converted to p- type as titanium and copper oxide added at (50) % ratio. The D.C conductivity measurements referred that there are two mechanisms responsible about the conductivity, hence it possess two act

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Publication Date
Fri Nov 29 2019
Journal Name
Iraqi Journal Of Physics
Gas Sensing of (SnO2)1-x(ZnO)x Composite Associating with Electrical Properties
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Abstract

Semiconductor-based gas sensors were prepared, that use n-type tin oxide (SnO2) and  tin oxide: zinc oxide composite (SnO2)1-x(ZnO)x at different x ratios using pulse laser deposition at room temperature. The prepared thin films were examined to reach the optimum conditions for gas sensing applications, namely X-ray diffraction, Hall effect measurements, and direct current conductivity. It was found that the optimum crystallinity and maximum electron density, corresponding to the minimum charge carrier mobility, appeared at 10% ZnO ratio. This ratio appeared has the optimum NO2 gas sensitivity for 5% gas concentration at 300 °C working temperat

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Publication Date
Thu Dec 30 2021
Journal Name
Iraqi Journal Of Science
Structural Reservoir Characterization of Akkas Gas Field, Western Iraq: Implications for Hydrocarbon Recovery
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     Akkas Field is a structural trap with a sandstone reservoir that contains proven gas condensate. The field is a faulted anticline that consists of the Ordovician Khabour Formation. The objective of this research is to use structural reservoir characterization for hydrocarbon recovery. The stratigraphic sequence of the Silurian and older strata was subjected to an uplift that developed a gentle NW-SE trending anticline. The uplifting and folding events developed micro-fractures represented by tension cracks.  These microfractures, whether they are outer arc or release fractures, are parallel to the hinge line of the anticline and perpendicular to the bedding planes. The brittle sandstone laye

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Publication Date
Tue Oct 02 2018
Journal Name
Iraqi Journal Of Physics
Gas sensitivity properties of TiO2/Ag nanocomposite films prepared by pulse laser deposition
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In this study, a double frequency Q-switching Nd:YAG laser beam (1064 nm and λ= 532 nm, repetition rate 6 Hz and the pulse duration 10ns) have been used, to deposit TiO2 pure and nanocomposites thin films with noble metal (Ag) at various concentration ratios of (0, 10, 20, 30, 40 and 50 wt.%) on glass and p-Si wafer (111) substrates using Pulse Laser Deposition (PLD) technique. Many growth parameters have been considered to specify the optimum condition, namely substrate temperature (300˚C), oxygen pressure (2.8×10-4 mbar), laser energy (700) mJ and the number of laser shots was 400 pulses with thickness of about 170 nm. The surface morphology of the thin films has been studied by using atomic force microscopes (AFM). The Root Mean Sq

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Publication Date
Wed Aug 31 2022
Journal Name
Iraqi Journal Of Science
Surface Plasmon Resonance (SPR) Simulation of a Gold-Bismuth Bi-layer Gas Sensor
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      The features of plasmonic surface frequency sensor technology, such as the small number of sensor samples required, electromagnetic interference, and high sensitivity, have been found to be highly important.. In this paper, a simulation program was created in Matlab_b2018 by adopting Fresnel equations for calculating the reflectivity of the electromagnetic wave between different media. A surface plasmon resonance sensor based on electromagnetic wavelengths within the range (100 nm to 1000 nm) has been proposed. The transfer matrix was used for a system consisting of four different media. The first medium is a semicircular BK7 glass prism, the second medium is a gold layer (40 nm thick), then a bismuth layer of variable thickne

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Publication Date
Wed Dec 30 2020
Journal Name
Iraqi Journal Of Science
Expansion Velocities of Elementary Gas in Comet Panstarrs Above 30000 Km from Nucleus
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The coma gasses consist of molecules liberated from the nucleus by solar heating and relative sublimation. Once they have left the nucleus, these molecules in the coma are exposed to direct solar radiation and can be damaged in various ways due to the combined action of these reactions.

   One of some complex problems facing the research in this field is that the Maxwell-Boltzmann equation gives distribution function for one kind of particles which have same masses, but the gas has multi-groups of particles (Carbon, Neon, Sodium … etc.), where all these components must be in one program to extract average velocity of all and calculate particles velocity to each band. This problem is solved here by Matlab program a

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Publication Date
Mon Apr 03 2023
Journal Name
Journal Of Educational And Psychological Researches
The Effectiveness of a Training Program Based on Connectivism Theory in Developing E-Learning Competencies among Teachers of Islamic Education in Dhofar Governorate
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Abstract

The study aims to build a training program based on the Connectivism Theory to develop e-learning competencies for Islamic education teachers in the Governorate of Dhofar, as well as to identify its effectiveness. The study sample consisted of (30) Islamic education teachers to implement the training program, they were randomly selected. The study used the descriptive approach to determine the electronic competencies and build the training program, and the quasi-experimental approach to determine the effectiveness of the program. The study tools were the cognitive achievement test and the observation card, which were applied before and after. The study found that the effectiveness of the training program

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Publication Date
Fri Dec 08 2023
Journal Name
Iraqi Journal Of Science
Spectrophotometric Determination of Thymol in Pharmaceutical Preparations Via Oxidative Coupling Reaction with 2,4- dinitrophenylhydrazine in the Presence of Potassium Periodate
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A new, simple and sensitive spectrophotometric method for the determination of Thymol in pure and mouth wash preparations has been proposed in this study. The method was based on oxidation of 2,4-dinitrophenylhydrazine with potassium periodate and coupling with Thymol in alkaline medium to form an intense violet water-soluble dye that is stable and has a maximum absorption at 570 nm. A graph of absorbance versus concentration shows that Beer’s law was obeyed over the concentration range of 0.25-10 μg.mL-1 of Thymol, with detection limits of 0.063 μg.mL-1. All experimental parameters that affect the development and stability of the colored product were carefully studied and the proposed method was successfully applied to the determina

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Publication Date
Mon Feb 24 2025
Journal Name
Journal Of Baghdad College Of Dentistry
The effect of Silicon di oxide Nano -Fillers reinforcement on some properties of heat cure polymethyl methacrylate denture base material
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Background: The purpose of this study was to evaluate the effect of addition of surface treated silicon dioxide Nano filler (SiO2) on some properties of heat cured acrylic resin denture base material (PMMA). The properties were impact strength, transvers strength, and surface hardness. Materials and methods: In addition to controlled group SiO2 powder was added to PMMA powder by weight in three different percentages 3%, 5% and 7%, mixed by probe ultra-sonication machine.120 specimens were constructed and divided into 3 groups according to the test (each group consist of 40 specimens) and each group was subdivided into 4 sub-groups according to the percentage of added SiO2 (finally each subgroup consist of 10 specimens). The tests conducte

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Publication Date
Wed Aug 23 2017
Journal Name
Journal Of Physics G: Nuclear And Particle Physics
Shell closures in Fl superheavy isotopes via determination of alpha decay preformation factor
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