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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
Fri Jul 01 2011
Journal Name
Materials Chemistry And Physics
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Publication Date
Fri Jun 24 2022
Journal Name
Iraqi Journal Of Science
Nonlinear Optical Properties of Pure and Ag/Polyaniline Nanocomposite Thin Films Deposited by Plasma Jet

In present work, the nonlinear optical properties of pure polyaniline and Ag/polyaniline nanocomposite thin films, deposited by plasma jet on glass substrate, were studied through open and closed Z-scan technique using pulse second harmonic Nd:YAG laser of wavelength 532nm, pulse duration of 30 ns and input energy 30mJ. The nonlinear optical properties of pure polyaniline thin films and silver polyaniline nanocomposite thin films prepared at constant gas flow rate 1lm-1 and different silver weight concentration 4, 5, and 10% were studied. The closed aperture Z-scan data indicates that the sign of the refraction nonlinearity is negative for pure polyaniline thin films n2 =11×10-3 cm2/MW and positive nonlinearity for Ag/polyaniline nanoco

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Publication Date
Wed Jul 01 2020
Journal Name
International Journal Of Pharmaceutical Research
Synthesis, characterization of new Schiff base compounds contains 5H-thiazolo[3,4-b][1,3,4] thiadiazole and study its biological activity

A new derivatives of Schiff bases connected with 5H-thiazolo[3,4-b][1,3,4]thiadiazole ring 5a-c were prepared via many reactions starting by treating 1,4-phenylene diamine 1 with chloroacetylchloride to prepared compound 2, then reaction with p-hydroxybenzaldehyde to synthesize compound 3 then, this was reacted with thioglycolic acid and thiosemicarazide to giveN,N-(1.4-phenylene)bis(2-(4-(2-amino-5Hthiazolo[4,3-b][1,3,4]thiadiazol-5-yl)phenoxy)acetamide) 4. Compound 4 was treated with different aromatic aldehydes to give a new derivatives of Schiff bases containing 5H-thiazolo[3,4-b][1,3,4]thiadiazole ring 5a-c. The synthesized compounds were characterized using FTIR spectrophotometer and 1H NMR spectroscopy and the biological activity of

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Publication Date
Mon Oct 01 2012
Journal Name
Iraqi Journal Of Physics
Structural and optical properties for nano GaxSb1-x films

Alloys of GaxSb1-x system with different Ga concentration (x=0.4, 0.5, 0.6) have been prepared in evacuated quartz tubes. The structure of the alloys were examined by X-ray diffraction analysis (XRD) and found to be polycrystalline of zincblend structure with strong crystalline orientation (220). Thin films of GaxSb1-x system of about 1.0 μm thickness have been deposited by flash evaporation method on glass substrate at 473K substrate temperature (Ts) and under pressure 10-6 mbar. This study concentrated on the effect of Ga concentration (x) on some physical properties of GaxSb1-x thin films such as structural and optical properties. The structure of prepared films for various values of x was polycrystalline. The X-ray diffraction analy

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Publication Date
Fri Jan 11 2019
Journal Name
Iraqi Journal Of Physics
Structural and optical properties for PVA- PEG-MnCl2 composites

Polymer films of PEG and PVA and their blend with different
concentrations of MnCl2 (0, 2, 4, 6 and 10 %.wt) were study using
casting technique. The X-ray spectra of pure PEG, PVA and
PVA:PEG films and with addition of 2% concentrations from
(MnCl2) show amorphous structures. The results for FTIR show the
interaction between the filler and polymer blend results in
decreasing crystallinity with rich amorphous phase. This
amorphous nature confirms the complexation between the filler and
the polymer blend. The optical properties of (PVA:PEG/MnCl2)
contain the recording of absorbance (A) and explain that the
absorption coefficient (α), refractive index (n), extinction coefficient
(ko) and the dielectric cons

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Publication Date
Tue May 30 2023
Journal Name
Iraqi Journal Of Science
Strongly Essential Submodules and Modules with the se-CIP

     Let  be a ring with identity. Recall that a submodule  of a left -module  is called strongly essential if for any nonzero subset  of , there is  such that , i.e., . This paper introduces a class of submodules called se-closed, where a submodule  of  is called se-closed if it has no proper strongly essential extensions inside . We show by an example that the intersection of two se-closed submodules may not be se-closed. We say that a module  is have the se-Closed Intersection Property, briefly se-CIP, if the intersection of every two se-closed submodules of  is again se-closed in . Several characterizations are introduced and studied for each of these concepts. We prove for submodules  and  of  that a module  has the

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Publication Date
Tue Jun 22 2010
Journal Name
Journal Of Al-nahrain University
STUDY THE STRUCTURAL AND ELECTRICAL PROPERTIES OF CdTe:Ag THIN FILMS

The influence of silver doped n-type polycrystalline CdTe film with thickness of 200 nm and rate deposition of 0.3 nm.s -1 prepared under high vacuum using thermal co-evaporation technique on its some structural and electrical properties was reported. The X- ray analysis showed that all samples are polycrystalline and have the cubic zinc blend structure with preferential orientation in the [111] direction. Films doping with impurity percentages (2, 3, and 4) %Ag lead to a significant increase in the carrier concentration, so it is found to change from 23.493 108 cm -3 to 59.297 108 cm -3 for pure and doped CdTe thin films with 4%Ag respectively. But films doping with impurity percentages above lead to a significant decrease in the electrica

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Publication Date
Wed Aug 09 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study The Structural And Electrical Properties Of CdTe:In Thin Films

 Indium doped CdTe polycrystalline films of thickness equals to 300nm were grown on corning glass substrates at temperature equals to 423K by thermal co-evaporation technique. The structural and electrical properties for these films were studied as a function of heat treatment (323,373,423)K. The x-ray analysis showed that all samples are polycrystalline and have the cubic zincblende structure with preferential orientation in the [111] direction, no diffraction peaks corresponding to metallic Cd, Te or other compounds were observed. It was found that the electrical resistivity drops and the carrier concentration increases when the CdTe film doped with 1.5% indium and treated at different annealing temperatures.

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Publication Date
Thu Jun 30 2016
Journal Name
European Journal Of Chemistry
Reaction paths and transition states of the C-C and C-H bond cleavage in the aromatic anthracene and phenanthrene molecules

The reaction paths of the C-C and C-H bond cleavage in the anthracene and phenanthrene aromatic molecules are studied by applying the ab-initio DFT method. It is found that the C-C bond cleavage proceeds via a singlet aromatic transition state, compelled through a disrotatoric ring opening reaction. A suprafacial H atom shift follows the transition state, leading to the formation of a methylene -CH2 and an acetylenic or allenic moiety. The calculated activation energies for anthracene range from 158.81-208.90 kcal/mol and the reaction energies from 96.106-156.976 kcal/mol. For phenanthrene, the energy values are 157.39-202.34 kcal/mol and 62.639-182.423 kcal/mol, respectively. For the C-H cleavage reactions, the calculated reaction energies

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Publication Date
Sun Jun 01 2014
Journal Name
Baghdad Science Journal
A Study of the Structural and Optical Properties of SnS:F prepared by chemical spray pyrolysis technique

Thin films of pure tin mono-sulfide SnS and tin mono-sulfide for (1,2,3,4)% fluorine SnS:F with Thicknesses of (0.85 ±0.05) ?m and (0.45±0.05) ?m respectively were prepared by chemical spray pyrolysis technique. the effect of doping of F on structural and optical properties has been studied. X-Ray diffraction analysis showed that the prepared films were polycrystalline with orthorhombic structure. It was found that doping increased the intensity of diffraction peaks. Optical properties of all samples were studied by recording the absorption and transmission spectrum in range of wave lengths (300-900) nm. The optical energy gap for direct forbidden transi

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