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First-Principles Analysis of Cr-Doped SrTiO 3 Perovskite as Optoelectronic Materials
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The influence of Cr3+ doping on the ground state properties of SrTiO 3 perovskite was evaluated using GGA-PBE approximation. Computational modeling results infered an agreement with the previously published literature. The modification of electronic structure and optical properties due to Cr3+ introducing into SrTiO 3 were investigated. Structural parameters assumed that Cr3+ doping alters the electronic structures of SrTiO 3 by shifting the conduction band through lower energies for the Sr and Ti sites. Besides, results showed that the band gap was reduced by approximately 50% when presenting one Cr3+ atom into the SrTiO 3 system and particularly positioned at Sr sites. Interestingly, substituting Ti site by Cr3+ led to eliminating the band gap indicated a new electrical case of transferring semiconducting material into a conducting material which intern enhance conductivity. Furthermore, it was found that Cr 3+ doping either at Sr or Ti positions could effectively develop the SrTiO3 dielectric constant properties. In addition, the absorption spectra was extended to cover the visible light region of the electromagnetic radiation, indicating the capability of this compound in harvesting sunlight for solar cell applications. Consequently, it can be said that Cr 3+ is an effective dopant which opening up new prospects for various industrial and technological applications.

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Publication Date
Fri Sep 15 2023
Journal Name
Journal Of Baghdad College Of Dentistry
FEM: Mono-implant cement retained crown with two different adhesive materials
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Background: The finite element method (FEM) is expected to be one of the most effective computational tools for measuring the stress on implant-supported restorations. This study was designed using the 3D-FEM to evaluate the effect of two adhesive luting types of cement on the occlusal stress and deformation of a hybrid crown cemented to a mono-implant. Materials and Method: The mono-screw STL file was imported into the CAD/CAM system library from a database supported by De-Tech Implant Technology. This was to assist in the accurate reproduction of details and design of a simulated implant abutment. Virtually, a digital crown was designed to be cemented on an abutment screw. A minimum occlusal thickness of 1mm and marginal fitting of 1.2

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Publication Date
Mon Jun 26 2023
Journal Name
Asia-pacific Journal Of Chemical Engineering
Sustainable environment through using porous materials: A review on wastewater treatment
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Abstract<p>Porous materials play an important role in creating a sustainable environment by improving wastewater treatment's efficacy. Porous materials, including adsorbents or ion exchangers, catalysts, metal–organic frameworks, composites, carbon materials, and membranes, have widespread applications in treating wastewater and air pollution. This review examines recent developments in porous materials, focusing on their effectiveness for different wastewater pollutants. Specifically, they can treat a wide range of water contaminants, and many remove over 95% of targeted contaminants. Recent advancements include a wider range of adsorption options, heterogeneous catalysis, a new UV/H<sub>2</sub>O<j></j></p> ... Show More
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Publication Date
Thu May 25 2023
Journal Name
Results In Chemistry
Synthesis and characterization of (E)-4-(((4-(5-mercapto-1, 3, 4-oxadiazol-2-yl) phenyl) amino) methyl)-2-methoxyphenol as a novel corrosion inhibitor for mild-steel in acidic medium
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Metal corrosion is a destructive process for many industrial operations, including oil well acidizing and acid pickling. Therefore, numerous efforts made by many researchers to control the steel corrosion. In the present work, A (E)-4-(((4-(5-mercapto-1,3,4-oxadiazol-2-yl) phenyl) amino) methyl)-2-methoxyphenol (MOPM) has been synthesized and characterized as a new corrosion inhibitor for mild steel in 0.1 M hydrochloric acid. FTIR and 1 HNMR were used in the diagnosis of MOPM, while electrochemical polarization technique was employed to test the performance of inhibitor at various temperatures and inhibitor concentrations. Electrochemical studies showed that MOPM acts as a mixed-type inhibitor with a maximum inhibition efficiency of

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Publication Date
Sun Jan 01 2023
Journal Name
Results In Chemistry
Synthesis and characterization of (E)-4-(((4-(5-mercapto-1, 3, 4-oxadiazol-2-yl) phenyl) amino) methyl)-2-methoxyphenol as a novel corrosion inhibitor for mild-steel in acidic medium
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Publication Date
Sun Nov 24 2024
Journal Name
Polymer-plastics Technology And Materials
Li <sub>2</sub> CO <sub>3</sub> as a Modifier for PVA/PVP/PEG Blend Polymer Electrolytes: Effects on Structural Integrity, Electrical Performance, Thermal Behavior and Optical Properties
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Publication Date
Mon Apr 01 2024
Journal Name
Indonesian Journal Of Chemistry
Synthesis, Structure and Biological Activity Studies of New Metal Ion Complexes Based on 3-[(3-Hydroxynaphthalene-2-yl-ethylidene)-hydrazono]-1,3-dihydro-indol-2-one
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In the present study, a novel ligand (L) made of 2-hydroxynaphthaldehyde and 3-hydrazone-1,3-dihydro-indole-2-one(3-[(3-hydroxynaphthalen-2-yl-ethylidene)-hydrazono]-1,3-dihydro-indol-2-one). The ligand was characterized by FTIR, UV-vis, mass, 1H-NMR, 13C-NMR, and CHN elemental analysis. New complexes of this ligand were created by treating methanol and a drop of DMF solution of the produced ligand with the hydrated metal salts of Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) in a molar ratio of 2:1 (L:M). As a result, complexes have been emerged and identified FTIR, UV-vis, C.H.N., chloride-containing, molar conductance, magnetic susceptibility, and atomic absorption. The characterization result for each complex indicated complexes wi

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Publication Date
Mon Dec 30 2024
Journal Name
Iraqi Journal Of Science
Synthesis, Characterization, Thermal Studies, and Antioxidant Activities of Azo Dye[2-[(3-Hydroxyphenyl)diazinyl]-1,2-Benzothiazol-3(2H)-one-1,1-Dioxide]and Metal Ion Complexes
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The new azo dye was synthesized via the reaction of the diazonium salt form of 3-aminophenol with 2-hydroxyquinoline. This dye was then used to access a series of complexes with the chlorides of manganese, iron, zinc, cadmium, and vanadium sulfate. The prepared ligand and its complexes were characterized by FT-IR spectroscopy, UV-visible spectroscopy, mass spectrometry, thermogravimetric analysis, differential scanning calorimeter, and microelemental analysis. Conductivity, magnetic susceptibility, metal content, and chlorine content of the complexes were also measured. The ligand and cadmium complex were identified using1H NMR and 13C NMR spectroscopy. The results showed that the shape of the ligand is a trigonal planner, and the c

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Publication Date
Thu Jun 15 2017
Journal Name
Journal Of Baghdad College Of Dentistry
The Effect of Different Light Cure Systems on Microhardness of Bulk Fill Composite Materials
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Background: The aim of this study was to evaluate the effect of three types of light curing devices QTH, LED and Flashmax on the surface microhardness of three types of bulkfill composite resins; Filtek Bulkfill posterior composite ( 3M), Tetric Evo Ceram ( Ivoclar Vivadent) and Sonicfill composite ( Kerr) Materials and methods: Total number of 90 samples was prepared, 30 samples for each type of bulkfill composite, were divided into three main groups, group A: Filtek posterior bulkfil (3M), group B: Tetric Evo Ceram (Ivoclar Vivadent) and group C: contain Sonicfill composite (kerr). Which then divided into three subgroups (n= 10) (1) Samples cured by QTH system (2) Samples cured by LED system and (3) samples cured by Flashmax system the

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Publication Date
Mon Jan 01 2018
Journal Name
Matec Web Of Conferences
Effect of internal curing on performance of self-compacting concrete by using sustainable materials
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This paper is devoted to investigate the effect of internal curing technique on the properties of self-compacting concrete. In this study, self-compacting concrete is produced by using limestone powder as partial replacement by weight of cement with percentage of (5%), sand is partially replaced by volume with saturated fine lightweight aggregate which is thermostone aggregate as internal curing material in three percentages of (5%, 10%, 15%) for self-compacting concrete, and the use of two external curing conditions which are water and air. The experimental work was divided into three parts: in the first part, the workability tests of fresh self-compacting concrete were conducted. The second part included conducting compressive str

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Publication Date
Thu Nov 08 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
The effect of mouth rinses on surface micro hardness of two esthetic restorative materials
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Objective: To evaluate the effect of mouth rinses (Biofresh and ZAK) on the surface micro hardness
of two light cure restorative material (Tetric ceram ivoclar-vivadent) and (3M Z 250) dental
composite.
Methodology: The microhardness values of (sixty) composite specimens were measured at the top
surfaces after 24 hours of immersion in different solutions (Biofresh, Zak mouth wash and distilled
water as control). Comparison done using descriptive statistics (mean, SD, SEM, minimum and
maximum values) and inferential statistics (ANOVA and LSD) test.
Results: The biofresh mouth rinse which has high alcohol containing has less effect on
microhardness of tetric ceram than the zak &distiled water , while the effect

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