Preferred Language
Articles
/
ohelXI8BVTCNdQwCCm7H
Study of the Interaction Between Reduced Graphene Oxide and NO<sub>2</sub>Gas Molecules via Density Functional Theory (DFT)
...Show More Authors

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.

Scopus Clarivate Crossref
View Publication
Publication Date
Sat May 01 2021
Journal Name
Journal Of Physics: Conference Series
Metal Complexes of Multidentate N<sub>2</sub>S<sub>2</sub> Heterocyclic Schiff-base Ligands;Formation, Structural Characterisation and Biological Activity
...Show More Authors
Abstract<p>The synthesis of ligands with N<sub>2</sub>S<sub>2</sub> donor sets that include imine, an amide, thioether, thiolate moieties and their metal complexes were achieved. The new Schiff-base ligands; N-(2-((2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)amino)ethyl)-2-((2-mercaptoethyl)thio)-acetamide (H<sub>2</sub>L<sup>1</sup>) and N-(2-((2,4-di-p-tolyl-3-azabicyclo[3.3.1]nonan-9-ylidene)amino)ethyl)-2-((2-mercaptoethyl)thio) acetamide (H2L<sup>2</sup>) were obtained from the reaction of amine precursors with 1,4-dithian-2-one in the presence of triethylamine as a base in the CHCl3 medium. Complexes of the general formula K<sub>2<</sub></p> ... Show More
View Publication
Scopus (3)
Crossref (2)
Scopus Crossref
Publication Date
Tue Jan 18 2022
Journal Name
Materials Science Forum
The Effect of Gamma Radiation on the Manufactured HgBa&lt;sub&gt;2&lt;/sub&gt;Ca&lt;sub&gt;2&lt;/sub&gt;Cu&lt;sub&gt;2.4&lt;/sub&gt;Ag&lt;sub&gt;0.6&lt;/sub&gt;O&lt;sub&gt;8+δ&lt;/sub&gt; Compound
...Show More Authors

In this article four samples of HgBa2Ca2Cu2.4Ag0.6O8+δ were prepared and irradiated with different doses of gamma radiation 6, 8 and 10 Mrad. The effects of gamma irradiation on structure of HgBa2Ca2Cu2.4Ag0.6O8+δ samples were characterized using X-ray diffraction. It was concluded that there effect on structure by gamma irradiation. Scherrer, crystallization, and Williamson equations were applied based on the X-ray diffraction diagram and for all gamma doses, to calculate crystal size, strain, and degree of crystallinity. I

... Show More
View Publication
Scopus (2)
Crossref (2)
Scopus Crossref
Publication Date
Sun Nov 01 2020
Journal Name
Journal Of Physics: Conference Series
Laser Irradiation Effect on The Optical Properties of CoO<sub>2</sub>Thin Films deposited via Semi-Computerized Spraying System
...Show More Authors
Abstract<p>In this paper deals with the effect laser irradiation on the optical properties of cobalt oxide (CoO<sub>2</sub>) thin films and that was prepared using semi computerized spray pyrolysis technique. The films deposited on glass substrate using such as an ideal value concentration of (0.02)M with a total volume of 100 ml. With substrate temperature was (350 C), spray rate (15 ml/min).The XRD diffraction given polycrystalline nature with Crystal system trigonal (hexagonal axes). The obtained films were irradiated by continuous green laser (532.8 nm) with power 140 mW for different time periods is 10 min,20min and 30min. The result was that the optical properties of cobalt oxide thin films affe</p> ... Show More
View Publication Preview PDF
Scopus Crossref
Publication Date
Fri Jul 29 2022
Journal Name
Journal Of Environmental Science And Health, Part A
Comparing the efficiency of N-doped TiO<sub>2</sub> and commercial TiO<sub>2</sub> as photo catalysts for amoxicillin and ciprofloxacin photo-degradation under solar irradiation
...Show More Authors

View Publication
Crossref (6)
Crossref
Publication Date
Tue Jul 20 2021
Journal Name
Materials Science Forum
Red Laser Irradiation Effect on the Structural Properties of MawsoniteCu&lt;sub&gt;6&lt;/sub&gt;Fe&lt;sub&gt;2&lt;/sub&gt;SnS&lt;sub&gt;8&lt;/sub&gt; [CFTS] Thin Films Deposited via Semi-Computerized Spray Pyrolysis Technique
...Show More Authors

The existing investigation explains the consequence of irradiation of violet laser on the structure properties of MawsoniteCu6Fe2SnS8 [CFTS] thin films. The film was equipped by the utilization of semi-computerized spray pyrolysis technique (SCSPT), it is the first time that this technique is used in the preparation and irradiation using a laser. when the received films were processed by continuous red laser (700 nm) with power (>1000mW) for different laser irradiation time using different number of times a laser scan (0, 6, 9, 12, 15 and 18 times) with total irradiation time (0,30,45,60,75,90 min) respectively at room temperature.. The XRD diffraction gave polycrysta

... Show More
View Publication Preview PDF
Scopus (1)
Scopus Crossref
Publication Date
Mon Sep 20 2021
Journal Name
Key Engineering Materials
Effect of Partial Substitution of Sr by Ba on the Structural Properties of Tl&lt;sub&gt;0.8&lt;/sub&gt;Ni&lt;sub&gt;0.2&lt;/sub&gt;Sr&lt;sub&gt;2-x&lt;/sub&gt;Br&lt;sub&gt;x&lt;/sub&gt;Ca&lt;sub&gt;2&lt;/sub&gt;Cu&lt;sub&gt;3&lt;/sub&gt;O&lt;sub&gt;9-δ&lt;/sub&gt; System
...Show More Authors

In this manuscript, the effect of substituting strontium with barium on the structural properties of Tl0.8Ni0.2Sr2-xBrxCa2Cu3O9-δcompound with x= 0, 0.2, 0.4, have been studied. Samples were prepared using solid state reaction technique, suitable oxides alternatives of Pb2O3, CaO, BaO and CuO with 99.99% purity as raw materials and then mixed. They were prepared in the form of discs with a diameter of 1.5 cm and a thickness of (0.2-0.3) cm under pressures 7 tons / cm2, and the samples were sintered at a constant temperature o

... Show More
View Publication
Scopus (2)
Scopus Crossref
Publication Date
Sat Jun 27 2020
Journal Name
Iraqi Journal Of Science
Green Synthesis of Reduced Graphene Oxide Using Ascorbic Acid
...Show More Authors

A green and low-cost method was used to prepare graphene oxide (GO) and reduced graphene oxide (rGO) by chemical exfoliation of graphite powder by modified Hummers method, followed by reduction using ascorbic acid. X-ray diffractometry (XRD) and field emission scanning electron microscopy (FE-SEM) were used to analyze the structure and morphology of the synthesized materials. Fourier transform infrared spectroscopy (FTIR) and ultraviolet-visible spectroscopy were used to identify the formation of the GO and rGO

View Publication Preview PDF
Scopus (9)
Crossref (8)
Scopus Crossref
Publication Date
Mon Oct 03 2022
Journal Name
Physica Scripta
Radiation shielding properties of Cd-Bi-Pb-Zn-borate glasses: influence of Bi<sub>2</sub>O<sub>3</sub> activation
...Show More Authors
Abstract<p>We report the detail characterizations and <italic>γ</italic>-radiation protecting characteristics of some new types of cadmium (Cd)-bismuth (Bi)-lead (Pb)-zinc (Zn)-borate glasses of the form (70-x)B<sub>2</sub>O<sub>3</sub>-10ZnO-10PbO-10CdO-xBi<sub>2</sub>O<sub>3</sub> (with x = 0 to 20 mol%) synthesized via melt-quenching process. The influence of various Bi<sub>2</sub>O<sub>3</sub> contents on the <italic>γ</italic>-radiation shielding traits of the obtained glass samples was evaluated by exposing them at different <italic>γ</italic>-ray energies (0.356, 0.662, 1.173, and 1.33 MeV) whic</p> ... Show More
View Publication
Scopus (4)
Crossref (4)
Scopus Clarivate Crossref
Publication Date
Fri Sep 01 2006
Journal Name
Journal Of Thermoplastic Composite Materials
The Thermoelectrical Behavior of PEO Films Doped with MnCl<sub>2</sub> Salt
...Show More Authors

The poly(ethylene oxide) polymer (PEO) is doped with fine powder of MnCl2 salt and thin films of thickness (50–150 mm) with salt content (0, 5, 10, 15, and 20 wt%) are obtained. The AC electrical conductivity and dielectric constants are studied as a function of temperature through an impedance technique. It is found that AC conductivity increases and the calculated activation energy decreases with increasing temperature due to enhancement of the ionic conduction in the film bulk. The dielectric constants of the doped membranes increase with temperature. It is found that the peak value of the tanloss is shifted to a higher frequency at higher temperatures. The dielectric behavior is explained on the basis of

... Show More
View Publication
Scopus (15)
Crossref (13)
Scopus Clarivate Crossref
Publication Date
Wed May 01 2024
Journal Name
Journal Of Physics: Conference Series
Study of The Effect of Concentration on The Efficiency of The Sensitive N749-TiO<sub>2</sub> Solar Cell
...Show More Authors
Abstract<p>In this research, we studied the effect of concentration carriers on the efficiency of the N749-TiO<sub>2</sub> heterogeneous solar cell based on quantum electron transfer theory using a donor-acceptor scenario. The photoelectric properties of the N749-TiO<sub>2</sub> interfaces in dye sensitized solar cells DSSCs are calculated using the J-V curves. For the (CH3)3COH solvent, the N749-TiO<sub>2</sub> heterogeneous solar cell shows that the concentration carrier together with the strength coupling are the main factors affecting the current density, fill factor and efficiency. The current density and current increase as the concentration increases and the </p> ... Show More
View Publication
Scopus Crossref