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DFT + U and ab initio atomistic thermodynamics approache for mixed transitional metallic oxides: A case study of CoCu 2 O 3 surface terminations
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This study develops a systematic density functional theory alongside on-site Coulomb interaction correction (DFT + U) and ab initio atomistic thermodynamics approachs for ternary (or mixed transitional metal oxides), expressed in three reservoirs. As a case study, among notable multiple metal oxides, synthesized CoCu2O3 exhibits favourable properties towards applications in solar, thermal and catalytic processes. This progressive contribution applies DFT + U and atomistic thermodynamic approaches to examine the structure and relative stability of CoCu2O3 surfaces. Twenty-five surfaces along the [001], [010], [100], [011], [101], [110] and [111] low-Miller-indices, with varying surface-termination configurations were selected in this study. The results portray satisfactory geometrical parameters for bulk CoCu2O3, and a band gap of 1.25 e V. Furthermore, we clarified the stoichiometrically balanced inverted (010)CoCuO, and the non-stoichiometric (001)CuOCu, (001)CoOCo, (110)OCoO and (110)CoOCu surface terminations as the most stable configurations, out of which, the (001)CuOCu shows the optimum stability in ambient conditions. The systematic approach applied in this study should prove instrumental for the analysis of other 3-element multicomponent systems. To the best of our knowledge, the present study is the first to report DFT + U analysis to any 3-multicompnent systems with two of them requires inclusion of U treatment (i.e., f- and d- orbitals) in the electronic structure calculations.

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Publication Date
Tue Feb 04 2025
Journal Name
Journal Of Baghdad College Of Dentistry
Early and delayed effect of 2% chlorhexidine on the shear bond strength of composite restorative material to dentin using a total etch adhesive
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Background: Lack of durability of the bond of the dental adhesive systems to tooth structure is one of the most important problems in tooth colored restorative work. This in vitro study was performed to evaluate the effect of 2% chlorhexidine gluconate(CHX) on dentin bond strength by using total etch adhesive system at twenty-four hours and three months of water storage. Material and methods:A flat dentin surface was prepared for forty sound human maxillary premolar teeth which were acid etched with 36% phosphoric acid gel after being divided randomly into four groups of ten teeth each according to storage time and CHX application, theCHX was applied for 60 seconds before adhesive application for groups I and III which were tested after twe

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Publication Date
Tue Oct 20 2020
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Employ Shrinkage Estimation Technique for the Reliability System in Stress-Strength Models: special case of Exponentiated Family Distribution
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       A reliability system of the multi-component stress-strength model R(s,k) will be considered in the present paper ,when the stress and strength are independent and non-identically distribution have the Exponentiated Family Distribution(FED) with the unknown  shape parameter α and known scale parameter λ  equal to two and parameter θ equal to three. Different estimation methods of R(s,k) were introduced corresponding to Maximum likelihood and Shrinkage estimators. Comparisons among the suggested estimators were prepared depending on simulation established on mean squared error (MSE) criteria.

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Publication Date
Sun Nov 26 2017
Journal Name
Journal Of Engineering
The Effect of Advertising Signs on the Urban Scene of Cities Centers (Al Bab Al Sharqi – Al Tahrir Square) Case Study
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The research represents an applied study to the urban scene of Baghdad city center within the area of (Al Bab Al Sharqi – Al Tahrir Square) through studying and identifying the levels of the reciprocal correlation of advertising signs impact on urban scene , then finding out the indicators and potential values which have made advertising signs as positive value by achieving the mechanisms of visual quality or a negative value by achieving mechanisms of visual pollution. And then examining the resulted visual perception defect reforming mechanism from it and identify the basic elements represented of the laws and legislation known worldwide. When presenting the problem, The research depends on: (Lack of clear perception

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Publication Date
Thu Apr 18 2019
Journal Name
Iraqi Journal Of Science
Fabrication and Study of Nano catalysis for Alkaline Fuel Cell
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In this paper the manufacture of an alkaline fuel cell electrodes made upfrom a Nano mesh (Pt:NiO) catalyst has been studying , made from a Nano mesh (Pt:NiO ) catalyst. The general morphology of the samples is were imaged by using with the an Atomic Force Microscope (AFM) to determine the roughness of the prepared surface, it constructed from nanostructure with dimensions in order of 35 nm. The Structural characteristics were studied through the analysis of X-ray diffraction (XRD) of the prepared nanomaterial for determining the yielding phase;1. 72 volt was also obtained at 0.02 A/cm2 current density for an alkaline fuel cell.

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Publication Date
Wed May 01 2019
Journal Name
Iraqi Journal Of Science
Fabrication and Study of Nano catalysis for Alkaline Fuel Cell
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Scopus
Publication Date
Fri Dec 01 2017
Journal Name
Journal Of Economics And Administrative Sciences
The application of quality requirements in the Ministry of Labour and Social Affairs using the international standard (ISO 9001: 2015) Korean case study of the Iraqi Center
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This research aims to study the mechanism of application of international specification requirements (ISO 9001: 2015) at the Iraqi Center- Korean Vocational Training return to vocational training department at the Ministry of Labour and Social Affairs for the purpose of preparing and creating the center to get a certificate of conformity with the requirements of the standard (ISO 9001: 2015) that would elevate the level of performance and services provided in the respondent Center after it is identified and the study of the reality of the quality management system by identifying strengths and weaknesses in the system to diagnose the gap and find ways to address that gap, and adopted the researchers the case study method to conduc

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Publication Date
Sun Dec 01 2019
Journal Name
Journal Of Economics And Administrative Sciences
The causal relationship between inflation and the volume of private sector deposits and the Amman Stock Exchange Index. (The case of Jordan for the period 1999-2017)
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        The study aims to show the correlation between inflation rates and the volume of private sector deposits in Jordan on one hand, and Amman Stock Exchange index for the period of 1999-2017. The study used the “Vector Auto Regression” model. Different types of tests are used such as: The “Johansen Co integration” test of joint integration, “Granger causality” test, the “Analysis of Variance Decomposition”, and “Impulse response Function” test.

The results showed there is a positive-one-way causal effect from Amman Stock Exchange index to inflation. Also, a one-way causal effect that comes from Amman Stock Exchange index to the size of private sec

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Publication Date
Mon Jun 30 2008
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
The Relationships between the Physical and Chemical Properties of Narrow Fractions Distilled From Mixed Kirkuk and Sharki-Baghdad Crude Oils
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Mixed Kirkuk and Sharki-Baghdad crude oils were distilled into narrow fractions. The range of these narrow fractions were 10oC, starting from IBP to 350oC. The total distillates from mixed Kirkuk and Sharki-Baghdad crude oils were 58.25 vol % and 44.65 vol %, respectively.The hydrocarbons compositions (paraffin, naphthene, aromatic) in light fractions starting from IBP to 250oC were determined by using PONA analysis method. The results show that the paraffin content decreases with increasing mid percent boiling point of the fraction, while the naphthene, and aromatic increase with the increase of mid percent boiling point of mixed Kirkuk and Sharki-Baghdad crude oils. Three groups of empirical equations were developed for the prediction

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Publication Date
Mon Jan 31 2022
Journal Name
Iraqi Journal Of Science
Synthesis and Characterization of Several New Copolymers Based on Maleimides Bearing 1, 3, 4-Oxadiazole Moiety
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A series of new copolyimides containing pendant 1,3,4-oxadiazole moiety were synthesized via multisteps. In the first step five N-(5-substituted-1,3,4-oxadiazole-2-yl)maleamic acids were prepared via reaction of maleic anhydride with 2-amino-5-substituted-1,3,4-oxadiazoles. The obtained amic acids were dehydrated in the second step affording the corresponding N-(5-substituted-1,3,4-oxadiazole-2-yl) maleimides. In the third step the newly synthesized maleimides were introduced successfully in free radical copolymerization reaction with four vinylic monomers including acrylo nitrile, methacrylonitrile, methyl acrylate and methyl meth acrylate respectively producing twelve new copolymers having different physical properties which may serve

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Publication Date
Wed Oct 02 2019
Journal Name
Biochem. Cell. Arch.
NEW MIXED LIGAND OF DITHIOCARBAMATE AND 8- HYDROXYQUINOLINE WITH SOME COMPLEXES OF SCHIFF BASE LIGAND : SYNTHESIS, SPECTRAL ANALYSIS AND BIOLOGICAL ACTIVITY
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The preparation, spectroscopic characterisation of complexes derived from the mixed ligands with CdII, ZnII and CoII metal ions with Schiff base, Dithiocarbamates (DTCs) and 8-Hydroxyquinoline are reported. The compounds that prepared have been defined via; chloride content, F.T-IR, UV-Vis 1H-NMR spectroscopy and C.H.N.S, as well as conductance and magnetic susceptibility.All data which collected from such methods specified complexes with 6 coordinates in solution and solid states. The biologicalactivity that is related to all the prepared compounds which were screened for their antimicrobial activitiesagainst (G+ and (G- )). The data that collected from biological activity indicate that complexes will have extra activity against such teste

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