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Density Functional Theory Calculations for Graphene Oxide, and Reduced Graphene Oxide as a Humidity Sensor
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Publication Date
Wed Dec 01 2021
Journal Name
Iraqi Journal Of Physics
Optical and A.C. Electrical Properties for Polypyrrole and Polypyrrole/Graphene (ppy/gn) Nanocomposites
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In this work, chemical oxidation was used to polymerize conjugated polymer "Polypyrrole" at room temperature Graphene nanoparticles were added by in situ-polymerization to get (PPY-GN) nano. Optical and Electrical properties were studied for the nanocomposites. optical properties of the nanocomposites were studied by UV-Vis spectroscopy at wavelength range (200 -800 nm). The result showed optical absorption spectra were normally determined and the result showed that the maximum absorbance wave length at 280nm and 590nm. The optical energy gap has been evaluated by direct transition and the value has decreased from (2.1 eV for pure PPy) to (1.3 eV for 5 %wt. of GN). The optical constants such as the band tail width ΔE was evaluated, the

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Publication Date
Mon Jan 30 2023
Journal Name
Iraqi Journal Of Science
Study the Effect of Oxygen on Coronene Electronic and Spectroscopic Properties via the Density Functional Theory (DFT)
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    The electronic properties (such as energy gap HOMO levels. LUMO levels, density of state and density of bonds in addition to spectroscopic properties like IR spectra, Raman spectra, force constant and reduced masses as a function of frequency) of coronene C24 and reduced graphene oxide C24OX , where x=1-5, were studied.. The  methodology employed was  Density Functional Theory (DFT) with Hybrid function B3LYP and 6-311G** basis sets. The energy gap was calculated for C24 to be 3.5 eV and for C24Ox was from 0.89 to 1.6862 eV  for x=1-5 ,respectively.   These energy gaps values are comparable to the measured gap of Graphene (1-2.2 eV). The spectroscopic properties were  compared with experimental measurements, specificall

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Publication Date
Wed Jun 01 2022
Journal Name
International Journal Of Electrical And Computer Engineering (ijece)
Plasmonic hybrid terahertz photomixer of graphene nanoantenna and nanowires
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Due to their attractive properties, silver nanowires (Ag-NWs) are newly used as nanoelectrodes in continuous wave (CW) THz photomixer. However, since these nanowires have small contact area, the nanowires fill factor in the photomixer active region is low, which leads to reduce the nanowires conductivity. In this work, we proposed to add graphene nanoantenna array as nanoelectrodes to the silver nanowires-based photomixer to improve the conductivity. In addition, the graphene nanoantenna array and the silver nanowires form new hybrid nanoelectrodes for the CW-THz photomixer leading to improve the device conversion efficiency by the plasmonic effect. Two types of graphene nanoantenna array are proposed in two separate photomixer conf

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Publication Date
Fri Sep 01 2023
Journal Name
Iraqi Journal Of Physics
Study the Electronic and Spectroscopic Characteristics of p-n Heterojunction Hybrid (Sn10O16/C24O6) via Density Functional Theory (DFT)
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The electronic characteristics, including the density of state and bond length, in addition to the spectroscopic properties such as IR spectrum and Raman scattering, as a function of the frequency of Sn10O16, C24O6, and hybrid junction (Sn10O16/C24O6) were studied. The methodology uses DFT for all electron levels with the hybrid function B3-LYP (Becke level, 3-parameters, Lee–Yang-Parr), with 6-311G (p,d)  basis set, and Stuttgart/Dresden (SDD) basis set, using Gaussian 09 theoretical calculations. The geometrical structures were calculated by Gaussian view 05 as a supplementary program. The band gap was calculated and compared to the measured valu

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Publication Date
Wed Jun 21 2023
Journal Name
Journal Of Electrochemical Science And Engineering
Phenol removal by electro-Fenton process using a 3D electrode with iron foam as particles and carbon fibre modified with graphene
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The 3D electro-Fenton technique is, due to its high efficiency, one of the technologies suggested to eliminate organic pollutants in wastewater. The type of particle electrode used in the 3D electro-Fenton process is one of the most crucial variables because of its effect on the formation of reactive species and the source of iron ions. The electrolytic cell in the current study consisted of graphite as an anode, carbon fiber (CF) modified with graphene as a cathode, and iron foam particles as a third electrode. A response surface methodology (RSM) approach was used to optimize the 3D electro-Fenton process. The RSM results revealed that the quadratic model has a high R2 of 99.05 %. At 4 g L-1 iron foam particles, time of 5 h, and

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Publication Date
Thu Apr 01 2021
Journal Name
J Nanostruct
Effect of Sulfur and Nitrogen co-Doped Graphene Quantum Dots on Co3O4 Nanoparticles as Solar Induced Photocatalyst
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The photocatalyst process is considered the most promising method for the removal of water contamination. For excellent chemical and structural properties of Co3O4 nanoparticles, various Co3O4-based nanostructures can be applied as a photocatalyst. In this work, carbon quantum dots is prepared via an eco-friendly process and linked to Co3O4 effectively. X-ray diffraction pattern (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV-visible absorption spectroscopy and Fourier transform infrared spectroscopy (FT-IR). The photocatalyst process reveals that prepared nanocomposites can be degraded methylene blue under solar irradiation strongly. Results showed that methylene blue and methyl orange are degraded via

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Publication Date
Mon Jun 01 2026
Journal Name
Chemical Physics Impact
High-density perovskite oxide ceramics with enhanced proton stopping power and gamma-ray shielding efficiency
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Publication Date
Sat Mar 01 2008
Journal Name
Iraqi Journal Of Physics
The effect of Aluminum Oxide, Iron Oxide on the thermal conductivity of (Epoxy-Aluminum Oxide, Epoxy-Iron Oxide) Composites
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Thermal conductivity for epoxy composites filled with Al2O3 and Fe2O3 are
calculated, it found that increasing the weight ratio of Al2O3 and Fe2O3 lead to
increase in the values of thermal conductivity, but the epoxy composite filled with
Fe2O3, have values of thermal conductivity less than for epoxy composite filled with
Al2O3, for the same weight ratio. Also thermal conductivity calculated for epoxy
composites by contact to every two specimens (like sandwich) content same weight
ratio of alumina-oxide and ferrite-oxide, its found that the value of thermal
conductivity lays between the values of epoxy filled Al2O3 and of epoxy filled Fe2O3

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Publication Date
Wed Feb 01 2023
Journal Name
Optik
Synthesis and characterization of PVDF/PMMA/ZnO hybrid nanocomposite thin films for humidity sensor application
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Publication Date
Fri Mar 01 2019
Journal Name
Iraqi Journal Of Physics
Enhancement of NO2 gas sensing behavior for ZnS/PPy nanostructure by loading graphene
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The pure ZnS and ZnS-Gr nanocomposite have been prepared
successfully by a novel method using chemical co-precipitation. Also
conductive polymer PPy nanotubes and ZnS-PPy nanocomposite
have been synthesized successfully by chemical route. The effect of
graphene on the characterization of ZnS has been investigated. X-ray
diffraction (XRD) study confirmed the formation of cubic and
hexagonal structure of ZnS-Gr. Dc-conductivity proves that ZnS and
ZnS-Gr have semiconductor behavior. The SEM proved that
formation of PPy nanotubes and the Gr nanosheet. The sensing
properties of ZnS-PPy/ZnS-Gr for NO2 gas was investigated as a
function of operating temperature and time under optimal condition.
The sensitivity,

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