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Study of Charge Flow Coefficient Au Metal with a - NPD Molecule Dye
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The coefficient of charge transfer at heterogeneous devices of Au metal with a well-known dyeis investigations using quantum model.Four different solvent are used to estimation the effective transition energy. The potential barrier at interface of Au and dye has been determined using effective transition energy and difference between the Fermi energy of Au metal and ionization energy of dye. A possible transfer mechanism cross the potential barrier dyeand coupling strength interaction between the electronic levels in systems of Au and is discussed.Differentdata of effective transition energy and potential barrier calculations suggest that solvent is more suitable to binds Au with dye.

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Publication Date
Sun Sep 01 2013
Journal Name
Baghdad Science Journal
Theoretical Study of Thermal Cracking For Acenaphthylene Molecule
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Density Functional Theory (DFT) calculations were carried out to study the thermal cracking for acenaphthylene molecule to estimate the bond energies for breaking C8b-C5a , C5a-C5 , C5-C4 , and C5-H5 bonds as well as the activation energies. It was found that for C8b-C5a , C5-C4 , and C5-H5 reactions it is often possible to identify one pathway for bond breakage through the singlet or triplet states. The atomic charges , dipole moment and nuclear – nuclear repulsion energy supported the breakage bond .Also, it was found that the activation energy value for C5-H5 bond breakage is lower than that required for C8b-C5a , C5a-C5 , C5-C4 bonds which refer to C5-H5 bond in acenaphthylene molecule are weaker than C8b-C5a , C5a-C5 , C5-C

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Synthesis of Bimetallic Au–Pt / TiO2 Catalysts as an Efficient Catalyst for the Photodegradation of Crystal Violet Dye
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     Bimetallic Au –Pt catalysts supporting TiO2 were synthesised using two methods; sol immobilization and impregnation methods. The prepared catalyst underwent a thermal treatment process at 400 C, while the reduction reaction under the same condition was done and the obtained catalysts were identified with transmission electron microscopy (TEM) and energy-dispersive spectroscopy (EDS). It has been found that the prepared catalysts have a dimension around 2.5 nm and the particles have uniform orders leading to high dispersion of platinum molecules .The prepared catalysts have been examined as efficient photocatalysts to degrade the Crystal violet dye under UV-light. The optimum values of Bimetallic Au –

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Publication Date
Mon May 22 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Some Robust Tests for the Correlation Coefficient: A Comparative Study
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This paper is Interested with studying the performance of statistic test the hypothesis of independence of the two variables (the hypothesis that there is no correlation between the variables under study) in the case of data to meet the requirement of normal distribution in the case away from the distribution due to the presence of outliers (contaminated values) and compared with the performance of some of the other methods proposed and modified

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Publication Date
Thu Sep 01 2022
Journal Name
Brazilian Journal Of Chemical Engineering
A computational study on the potential application of Ca12O12 cluster for sensing of fungicide molecule
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Density functional theory calculations are employed to investigate the impact of edifenphos molecule on the reactivity and electronic sensitivity of pure calcium oxide (CaO) nanocluster. The strong adsorption of edifenphos molecule on CaO nanocluster occurs by the sulfur head of the adsorbate, and the amount of the energy of this adsorption is around − 84.40 kcal/mol. The adsorption of edifenphos molecules results in a decrease in the values of Eg of CaO from 4.67 to 3.56 eV, as well as an increase in the electrical conductance. Moreover, the work function of CaO nanocluster is significantly affected, which changes the current of the field emission electron. Eventually, the recovery time is calculated around 99 ms at ambient temperature f

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Publication Date
Wed Sep 08 2021
Journal Name
Egyptian Journal Of Chemistry
Synthesis And Characterization Of Metal(II) Complexes With Azo Dye Ligand And Their Industrial And Biological Applications
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Azo ligand 4-((2-hydroxy-3,5-dimethylphenyl)diazenyl) benzoic acid was synthesized from 4-aminobenzoic acid and 2,4- dimethylphenol. Azo dye compounds have been characterized by different techniques (1H-NMR, UV-Vis and FT-IR). Metal chelates of (ZnII, CdII and HgII) have been synthesized with azo ligand (L). Produced compounds have been identified by using spectral studies, elemental analysis(C.H.N.) and conductivity. Produced metal chelates were studied using mole ratio as well sequences contrast types. Rate of concentration(1×10-4-3×10-4 Mole/L) sequence Beer's law. Compound solutions have been noticed height molar absorptivity. The addendum of ligand and compounds has applied as disperse dyes on cotton fabrics for antibacterial activit

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Publication Date
Fri Jan 01 2016
Journal Name
Applied Numerical Mathematics
Multiple time-dependent coefficient identification thermal problems with a free boundary
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Publication Date
Fri Oct 20 2023
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
A Theoretical Study of The Influence of Donor Sensitize Dye on Performance of Dye-sensitized Solar Sells DSSCs
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    In this paper, a theoretical study was introduced to discussion the  Influence of donor senstizer on efficiency of solar cell with clear  focusing on dye senstized solar cell DSSCs applications was presented. Use of donor  as -sensitizer dye in solar cells was a viable contender in photovoltaics due to their spectrum of excited state to transfer more elkectrons to conduction band of semiconductor  .In this study, two systems Alq3/ZnO and D149/ZnO devices taken with same two solvents .Transtion energy ,coupling strength and transtion parameters are used to calculate the  electron current density , it  uses to calculate the photovoltic characteristic I-V ,fill factor and the efficiency of th

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Publication Date
Tue Jul 28 2020
Journal Name
Iraqi Journal Of Science
Charge Transfer Spectrophotometric Determination of Metronidazole in Pharmaceutical Formulations by Normal and Reverse Flow Injection Analysis Coupled with Solid-Phase Reactor Containing Immobilized FePO4
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     Two rapid, simpleand sensitive flow injection methods were developed for the estimation of metronidazole (MRZ) in pharmaceutical formulations. The proposed methods were based on charge transfer reaction between metol (N-methyl-p-aminophenol sulfate) as a Ï€-acceptorand reduced MRZ as an n-donor to produce a blue colored chargetransfer complex. Method A depends on the reaction of reduced MRZ with metol (MT) in the presence of NaIO4 using two lines manifold to form blue colored product exhibiting absorption maxima at 700 nm.While method B depends on charge transfer reaction of reduced MRZ with MT in presence of a solid phase reactorcontainingfixedFePO4 on cellulose acetateusing reverse flow

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
Charge Transfer studies of some oxadiazole derivatives with different
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the physical paraneters of oxadizole derivaties as donor molecules have been measured the charge transfer and methanol as solvent have been estimated from the electonic spectra

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Publication Date
Wed May 10 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Spectrophotometric Study for Charge Transfer Complexes Between p- Chloranil with Anions of Amide, Azide and Cyanide
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    The complexes of para-chloranil as electron acceptor and the anions of amide, azide and cyanide as electron donors in aqueous ethanol as a solvent, were studied spectrophotometrically .     The reactions lead to the formation of charge transfer complexes. The CT complexes were stable in excess acceptor concentration, while they were underwent another transformations in excess donors concentrations.   Stoichiometries were determined, the molecular ratio was determined by continuous variation method (Job method) and is was  1:1 (donor: acceptor).   The maximum wavelength (λ max.), the energy (hÏ…CT), ionization potential (Ip) and activation energy (w ) of excited state f

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