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Theoretical investigation of charge transfer at N3 sensitized molecule dye contact with TiO2 and ZnO semiconductor
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We present a simple model of charge transfer current through sensitizer N3 molecule contact to TiO2 and ZnO semiconductors to calculate the charge transfer current. The model underlying depends on the fundamental parameters of the charge transfer reaction and it is based on the quantum transition theory approach. A transition energy, driving energy and potential barrier have been taken into account charge transfer current at N3 / TiO2 and N3 / ZnO devices with wide polarity solvents Acetic acid, 2-Methoxyethanol, 1-Butanol, Methyl alcohol, chloroform, N,N-Dimethylacetamide and Ethyl alcohol via the quantum donor-acceptor system.The effects of the transition energy and potential barrier are computed and discussion on charge transfer current. Moreover, the transition energy of N3/TiO2 and N3/ZnO devices have been slightly increase with increase dielectric constant and decrease refractive index. The data show that charge transfer current increases with decrease all parameters transition energy, potential and driving energy. It was show the charge transfer current is large for low driving energy ΔFE0∼0.3 eV. Consequently, the N3/TiO2 device has given large charge current compare with N3/ZnO device in room temperature with same solvent and driving energy.

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Publication Date
Tue Feb 12 2019
Journal Name
Iraqi Journal Of Physics
Structural and optical properties of ZnO doped Mg thin films deposited by pulse laser deposition (PLD)
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This paper reports the effect of Mg doping on structural and optical properties of ZnO prepared by pulse laser deposition (PLD). The films deposited on glass substrate using Nd:YAG laser (1064 nm) as the light source. The structure and optical properties were characterized by X-ray diffraction (XRD) and transmittance measurements. The films grown have a polycrystalline wurtzite structure and high transmission in the UV-Vis (300-900) nm. The optical energy gap of ZnO:Mg thin films could be controlled between (3.2eV and 3.9eV). The refractive index of ZnO:Mg thin films decreases with Mg doping. The extinction coefficient and the complex dielectric constant were also investigate.

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Publication Date
Tue Jan 01 2019
Journal Name
Aip Conference Proceedings
Experimental and theoretical study of (PVC) nanoparticles prepared by laser ablation in ethanol
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In this manuscript divide into two parts the first experimental and the second theoretical. The experimental part of polyvinyl chloride (PVC) can be used with aluminum (30%). Nanomaterials are synthesized by a laser pulse melting solution by ethanol. The effect of laser on the structural, morphological, optical, and electrical properties of nanoparticles (PVC) was examined by UV spectroscopy, x-ray diffraction (XRD), electron microscopy (TEM). The theoretical part of the DFT can be used to approximate the generalized gradient of the Perdew, Burke, and Ernzerhof (PBE) / 6-31G (d) groups, which were created using additional Gaussian 09 software through Gaussian 5.08. To build PVC nanocrystal pure which chemical formula [(C2H3Cl)n] and build (

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Publication Date
Mon Jan 02 2017
Journal Name
Journal Of Educational And Psychological Researches
Toward a theoretical model of the terrorist personality and differentiation from psychopathic personality
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The current theoretical research targeted to construct a model of terrorist personality and its differentiation from psychopathic personality . Several assumptions or theories of perspectives of psychopathic personality have been compared with the terrorist personality studies that concerned . The suggested theoretical  model is interrupting the terrorist personality . The conclusions , discussions are mentioned. Finally, recommendation is suggested .

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Publication Date
Sun Nov 01 2015
Journal Name
Energy Conversion And Management
Laminar convective heat transfer of hexylamine-treated MWCNTs-based turbine oil nanofluid
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Multi-walled carbon nanotubes (MWCNTs) were functionalized by hexylamine (HA) in a promising, cost-effective, rapid and microwave-assisted approach. In order to decrease defects and remove acid-treatment stage, functionalization of MWCNTs with HA was carried out in the presence of diazonium reaction. Surface functionality groups and morphology of chemically-functionalized MWCNTS were characterized by FTIR, Raman spectroscopy, thermogravimetric analysis (DTG), and transmission electron microscopy (TEM). To reach a promising dispersibility in oil media, MWCNTs were functionalized with HA. While the cylindrical structures of MWCNTs were remained reasonably intact, characterization results consistently confirmed the sidewall-functionalization o

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Publication Date
Thu Aug 01 2024
Journal Name
Baghdad Science Journal
Adsorption of Bromothymol Blue Dye onto Bauxite Clay
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الهدف من العمل الحالي هو استخدام مادة غير سامة وغير مكلفة ذات قدرة عالية على امتصاص الماء ، وهي طين البوكسايت، لامتصاص صبغة البروموثيمول الزرقاء من محلول مائي. تُستخدم المركبات العضوية الاصطناعية كصبغات بشكل شبه حصري في العمليات الصناعية الحديثة مثلاً في إنتاج المنسوجات والجلود والطلاء والأغذية ومستحضرات التجميل والمستحضرات الصيدلانية. تشكل هذه الأصباغ خطرًا على البيئة عند إطلاقها نظرًا لآثارها الجا

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Publication Date
Wed Jun 01 2011
Journal Name
Journal Of Engineering
ELECTROCHEMICAL DECOLORIZATION OF DIRECT BLACK TEXTILE DYE WASTEWATER
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Electrochemical decolorization of direct black textile dye was studied in the presence of sodiumhydroxide (NaCl). Electrochemical cell occupy about 1 liter of working electrolyte supplied with graphiteelectrodes for both anode and cathode was constructed for this purpose. Decolorization percent, treatment time, power consumption, and pH were studied as a function of the applied voltage and salt concentration. Results show that decolorization increase with increasing salt concentration and applied voltage. Best decolorization of 86% can be achieved after 17 min at 7 volt and 5 g/l salt concentration. Further decolorization can be achieved but this will be accompanied with a sharp increase in power consumption. No significant decrease

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Publication Date
Tue Aug 01 2023
Journal Name
Baghdad Science Journal
Degradation of Indigo Dye Using Quantum Mechanical Calculations
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The semiempirical (PM3) and DFT quantum mechanical methods were used to investigate the theoretical degradation of Indigo dye. The chemical reactivity of the Indigo dye was evaluated by comparing the potential energy stability of the mean bonds. Seven transition states were suggested and studied to estimate the actually starting step of the degradation reaction. The bond length and bond angle calculations indicate that the best active site in the Indigo dye molecule is at C10=C11.  The most possible transition states are examined for all suggested paths of Indigo dye degradation predicated on zero-point energy and imaginary frequency. The first starting step of the reaction mechanism is proposed. The change in enthalpy, Gibbs free energ

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Publication Date
Sun Dec 01 2019
Journal Name
Baghdad Science Journal
Studying the Crystal Structure, Topography, and Anti-bacterial of a Novel Titania (TiO2 NPs) Prepared by a Sol-gel Manner
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In this research, titanium dioxide nanoparticles (TiO2 NPs) were prepared through the sol-gel process at an acidic medium (pH3).TiO2 nanoparticles were prepared from titanium trichloride (TiCl3) as a precursor with Ammonium hydroxide (NH4OH) with 1:3 ratio at 50 °C. The resulting gel was dried at 70 °C to obtain the Nanocrystalline powder. The powder from the drying process was treated thermally at temperatures 500 °C and 700 °C. The crystalline structure, surface morphology, and particle size were studied by using X-ray diffraction (XRD), Atomic Force Microscopy (AFM), and Scanning Electron Microscope (SEM). The results showed (anatase) phase of titanium dioxide with the average grain size

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Publication Date
Mon Aug 01 2022
Journal Name
Journal Of Engineering Science And Technology
NUMERICAL INVESTIGATION OF DIESEL ENGINE PERFORMANCE OPERATED IN DUAL FUEL PHASE WITH INCREASING SYNGAS DIESEL ADDITION RATIO AND LAMBDA VALUE OF 1
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Publication Date
Wed Oct 02 2013
Journal Name
Journal Of The College Of Basic Education
Excess parameters of binary mixtures of tetrahydrofurfuryl alcohol with cyclopentanol and 1-pentanol at (293.15, 303.15 and 313.15 K)
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