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Structural, electronic and optoelectronic properties of AB5C8 (A = Cu/Ag; B = In and C = S, Se and Te) compounds

Ternary semiconductors AB5C8 (A = Cu/Ag, B = In and C = S, Se or Te) have been investigated. The CuIn5S8 and AgIn5S8 have been synthesize in cubic spinel structure with space group (Fd3m), whereas CuIn5Se8, AgIn5Se8, CuIn5Te8 and AgIn5Te8 have tetragonal structures with space group P-42m. The relaxed crystal geometry, electrical properties such as electronic band structure and optoelectronic properties are predicted by using full potential method in this work. For the determination of relaxed crystal geometry, the gradient approximation (PBE-GGA) is used. All the studied compounds are semiconductors based on their band structures in agreement with the experimental results, and their bulk moduli are in the range 35 to 69 GPa. Wide absorption peaks appeared in the visible to ultraviolet energy region indicating good absorption ability of these compounds. Therefore, these semiconductors are an excellent choice for optical devices, electrochemical and photovoltaic cells. These compounds have remarkable characteristics such as direct as well as indirect band gaps with very slight difference between the two, high absorption coefficient, good photo-stability, easy inter-conversion between n- and p-type semiconductors and in manufacturing of comparatively cheap homo and hetero junction structures. AB5C8 (A = Cu/Ag; B = In and C = S, Se, Te) compounds have shown high absorption and optical conductivity in the visible region. These compounds have therefore high potential to be used as solar energy harvesting. Also these systems are optical active in the ultraviolet region too therefore can be used for high frequency optoelectronics applications.

Publication Date
Sun Jan 26 2020
Journal Name
Iraqi Journal Of Science
Electronic Structure and Optical Properties of Gaas1-Xpx: A First-Principles Study

In this work, the effects of x-value on electrical and optical properties was studied for the two dimensional (2D)GaAs1-xPxstructure by applying the density functional theory.We found that the gallium arsenide(GaAs) and gallium phosphide(GaP) monolayers are bound to each other, while the charge transfer between these two materialsleads to tuning the band gap value between 1.5 eV for GaAs to 2.24 eV for GaP. The density of state, band structure, and optical properties are investigated in this paper.

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Publication Date
Wed Aug 30 2023
Journal Name
Baghdad Science Journal
Hepatocellular Carcinoma Prediction and early Diagnosis of Hepatitis B and C viral infection using miR-122 and miR-223 in a sample of Iraqi patients.

Hepatocellular carcinoma (HCC) is the third most common cause of cancer-related death. Therefore, it is critical for researchers to understand molecular biology in greater depth.  In several diseases including cancer, abnormal miRNA expression has been linked to apoptosis, proliferation, differentiation, and metastasis. Many miRNAs have been studied in relation to cancer, including miR-122, miR-223, and others. Hepatitis B and C viruses are the most important global risk factors for HCC. This study is intended to test whether serum miRNAs serve as a potential biomarker for both HCC and viral infections HBV and C. The expression of miRNA in 64 serum samples was analyzed by RT-qPCR. Compared to healthy volunteers, HCC patients' sera expre

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Publication Date
Mon Dec 30 2013
Journal Name
Journal Of The College Of Basic Education
Synthesis and Antimicrobial Activities of (Mn, Co, Ni, Cu, Hg and Ag) Complexes with Poly (Vinyl-4-Aminobenzoate)

The aim of this work is synthesis of _Eoly (Vinyl-4-AminoBenzoate) (PVAB) from reaction of _Eoly Vinyl Alkohol PVA with 4-aminobenzoyl chloride in alkaline media. We also prepare the metal complexes of poly (vinyl- 4-aminobenzoate) and antimicrobial properties were evaluated by dilute method against five pathogenic bacteria (Escherichia coli, Shigella dysentery, Klebsiella pneumonae, Staphylococcus aureus, Staphylococcus Albus) and two fungal (Aspergillus Niger, Yeast). All polymer metal complexes showed different activities against the various microbial isolates. The polymer metal complexes showed higher activity than the free polymer.

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Publication Date
Sun Apr 03 2005
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Serum Trace Elements ( Se+2, Cu+2, Zn+2) in Patients with Behcet's Disease

Background: Extensive reports denote the biological role of trace elements (Cu Zn ", Se ') in many various physiological and pathological conditions, one of the list is shown to be Behcet's disease (BD).The aim of this study was directed towards the distribution of trace elements (Cu 2,Zn, 2,Se 2) in sera of BD patients, and control groups.
Methods: Fifty Arab Iraqi patients who fulfdled the ISO criteria for diagnosis BD.compared with 21 patients control with recurrent oral ulcer (ROU), healthy control groups (2Ihealthy relative and 21healthy volunteer). Typing HLA Class I was carried out at Alkarama hospital, by using microlympho-cytotoxicity test. The concentrations of serum Cu ', Zn ", and Se" were determined by atomic absorption s

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Publication Date
Wed Oct 28 2020
Journal Name
Iraqi Journal Of Science
Zeta Potential of Ag, Cu, ZnO, CdO and Sn Nanoparticles Prepared by Pulse Laser Ablation in Liquid Environment

Metal nanoparticles (NPs) of silver (Ag), copper (Cu), zinc oxide (ZnO), cadmium oxide (CdO) and tin (Sn) were synthesized by laser ablation of a solid target in de-ionized water (DI). X-ray diffraction patterns showed the formation of AgO, Ag, Cu, ZnO, CdO, and Sn NPs. Absorbance spectrum of the produced nanoparticles was measured by UV-Vis spectrophotometer which showed that Ag and CdO NPs shifted to the short wavelength (blue shift), indicating the formation of NPs with smaller sizes, whereas CuO showed the formation two peaks. ZnO and Sn NPs shifted to the long wavelength (red shift) which indicates the formation NPs with  larger size. Zeta potential results proved that ZnO nanoparticles were more stable (-26.53mV) than the othe

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Publication Date
Sun Sep 03 2017
Journal Name
Baghdad Science Journal
Preparation and Characterization of Cu (II), Mn(II) and Zn(II)complexes with new sulfamethoxazole Compounds

Acetophenone sulfamethoxazole and 3-Nitrobenzophenone sulfamethoxazole were prepared from the reaction of sulfamethoxazole with two ketones. The prepared ligands were identified by (C.H.N) analysis and UV-VIS, FT-IR spectroscopic techniques. Metal complexes of the two ligands were prepared in an aqueous alcohol with Zn (II), Mn (II) and Cu (II) ions with a molar ratio1:1. The proposed general formula for the resulting complexes was [ML.CL2.H2O]H2O .The complexes were characterized by (C.H.N) technique , spectroscopic methods ,conductivity, atomic absorption ,magnetic susceptibility measurements and melting point. According to the results obtained, the suggested geometry is to be octahedral for all the complexes.

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Publication Date
Sun Jan 03 2010
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Prevalence of hepatitis B and hepatitis C among blood donors in Baghdad, August 2007-December 2008.

Background: Hepatitis is a disease of the liver caused by the infectious and non-infectious agents.
Patients &methods: A total of 600 blood donors attending blood bank at Baghdad city were included in this study , they were screened by Enzyme Immune sorbent Assay for detection of HBs Ag and anti-HCV ,that confirmed by recombinant immunoblot assay .the possible influence of the various factors on the prevalence was analyze too.
Results: Form the total donors there were 37(6.2%)and 6(1.7%)positive for HBV &HCV respectively .peak prevalence for HBs Ag was noticed in age groups (20-29)years .
Conclusion: Screening blood donors for both HBV and HCV is indispensable for safe blood transfusion. . In gen

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Publication Date
Wed Jun 27 2018
Journal Name
Iraqi Journal Of Science
Properties of ~ Self-Adjoint and ~ Positive Operators in b- Hilbert Space

In this paper, we will introduce a new concept of operators in b-Hilbert space, which is respected to self- adjoint operator and positive operator. Moreover we will show some of their properties as well as the relation between them.

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Publication Date
Wed May 25 2022
Journal Name
Iraqi Journal Of Science
Determination of Electrons Temperature and Density For Ag, Zn, and Cu metals using Plasma jet System at atmospheric pressure

      Under atmospheric pressure, an argon plasma stream was sustained and its plasma characteristics were examined. The emission spectra of plasma created in a plasma jet system using argon gas were observed for three metals (Ag, Zn, and Cu) for the anode and varied flow rates ranging from 1–4 L/min. at constant voltage, and normal atmospheric pressure. The spectral lines of excited Ar, Ag, Zn, and Cu species were identified at a wavelength of (650–900) nm .The Debye length, sphere, and temperature of an electron are all measured. Optical emission spectrometer (OES) equipment was used to capture the spectrum produced by the plasma at various argon gas flow rates.The temperature and density of the electron (Te) and (n

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Publication Date
Sun Dec 07 2008
Journal Name
Baghdad Science Journal
The effect of doping ratio of Cu on the structural properties of CdSe Films

Films of CdSe have been prepared by evaporation technique with thickness 1µm. Doping with Cu was achieved using annealing under argon atmosphere . The Structure properties of these films are investigated by X-ray diffraction analysis. The effect of Cu doping on the orientation , relative intensity, grain size and the lattice constant has been studied. The pure CdSe films have been found consist of amorphous structure with very small peak at (002) plane. The films were polycrystalline for doped CdSe with (1&2wt%) Cu contents and with lattice constant (a=3.741,c=7.096)A°, and it has better crystallinty as the Cu contents increased to (3&5wt%) Cu. The reflections from [(002), (102). (110), (112), and (201)]planes are more prominen

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