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Electronic and optical properties of nickel-doped ceria: A computational modelling study
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Cerium oxide (CeO2), or ceria, has gained increasing interest owing to its excellent catalytic applications. Under the framework of density functional theory (DFT), this contribution demonstrates the eect that introducing the element nickel (Ni) into the ceria lattice has on its electronic, structural, and optical characteristics. Electronic density of states (DOSs) analysis shows that Ni integration leads to a shrinkage of Ce 4f states and improvement of Ni 3d states in the bottom of the conduction band. Furthermore, the calculated optical absorption spectra of an Ni-doped CeO2 system shifts towards longer visible light and infrared regions. Results indicate that Ni-doping a CeO2 system would result in a decrease of the band gap. Finally, Mulliken's charge transfer of the Ce1􀀀xNixO2 system exhibits an ionic bond between Ce or Ni and O, and covalent bonds between Ce and Ni atoms. The analysis of absorption spectra demonstrates that Ni-doped CeO2 is a material with potential use in photocatalytic, photovoltaic, and solar panels.

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Publication Date
Mon Feb 25 2019
Journal Name
Iraqi Journal Of Physics
Effects of multi- Deposition on the structural and optical properties of CdS nanocrystalline thin film prepared by CBD technique.
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Cadmium sulfide (CdS) nanocrystalline thin films have been prepared by chemical bath deposition (CBD) technique on commercial glass substrates at 70ºC temperature. Cadmium chloride (CdCl2) as a source of cadmium (Cd), thiourea (CS(NH2)2) as a source of sulfur and ammonia solution (NH4OH) were added to maintain the pH value of the solution at 10. The characterization of thin films was carried out through the structural and optical properties by X-ray diffraction (XRD) and UV-VIS spectroscopy. A UV-VIS optical spectroscopy study was carried out to determine the band gap of the nanocrystalline CdS thin film and it showed a blue shift with respect to the bulk value (from 3.9 - 2.4eV). In present w

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Publication Date
Sun Jun 01 2014
Journal Name
Baghdad Science Journal
The Effect of Annealing on The Structural and Optical Properties of Copper Oxide Thin Films Prepared by SILAR Method
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Copper oxide thin films were deposited on glass substrate using Successive Ionic Layer Adsorption and Reaction (SILAR) method at room temperature. The thickness of the thin films was around 0.43?m.Copper oxide thin films were annealed in air at (200, 300 and 400°C for 45min.The film structure properties were characterized by x-ray diffraction (XRD). XRD patterns indicated the presence of polycrystalline CuO. The average grain size is calculated from the X-rays pattern, it is found that the grain size increased with increasing annealing temperature. Optical transmitter microscope (OTM) and atomic force microscope (AFM) was also used. Direct band gap values of 2.2 eV for an annealed sample and (2, 1.5, 1.4) eV at 200, 300,400oC respect

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Publication Date
Mon Jun 01 2020
Journal Name
Iraqi Journal Of Physics
Influence of Sn doping ratio on the structural and optical properties of CdO films prepared by laser induced plasma
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In this work, we study the effect of doping Sn on the structural and optical properties of pure cadmium oxide films at different concentrations of Tin (Sn) (X=0.1,0.3 and 0.5) .The films prepared by using the laser-induced plasma at wavelength of laser 1064 nm and duration 9 ns under pressure reached to 2.5×10-2 mbar. The results of X-ray diffraction tests showed that the all prepared films  are polycrystalline. As for the topography of the films surface, it was measured using AFM , where the results showed that the grain size increases with an increase in the percentage of doping  in addition to an increase in the average roughness. The optical properties of all films have also been studied through the absorbance s

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Publication Date
Fri Jan 01 2016
Journal Name
Iosr Journal Of Applied Physics (iosr-jap)
Influence of concentration on the structural, optical and electrical properties of TiO 2 : CuO thin film Fabricate by PLD
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In this work, Titanium oxide thin films doped with different concentration of CuO (0,5,10, 15,20) %wt were prepared by pulse laser deposition(PLD) technique on glass substrates at room temperature with constant deposition parameter such as : pulse (Nd:YAG), laser with λ=1064 nm, constant energy 800 mJ , repetition rate 6 Hz and No. of pulse (500). The structure , optical and electrical properties were studied . The results of X-ray diffraction( XRD) confirmed that the film grown by this technique have good crystalline tetragonal mixed anatase and rutile phase structure, The preferred orientation was along (110) direction for Rutile phase. The optical properties of the films were studied by UV-VIS spectrum in the range of (360-1100)

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Publication Date
Thu Jun 30 2022
Journal Name
Iraqi Journal Of Science
The Effect of Au Nanoparticles on the Structural and Optical Properties of (NiO:WO3) Thin Films Prepared by PLD Technique
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      In the present investigation, (NiO:WO3 ) thin films were deposited at RT onto glass substrates  using PLD technique employing focused Nd:YAG laser beam at 600 mJ with a frequency second radiation at 1064 nm (pulse width 9 ns) repetition frequency (6 Hz), for 400 laser pulses incident on the target surface .The structural, morphological and optical properties of the films doped with  different concentration of  Au content (0.03, 0.05, and 0.07) were examined with X-ray diffractometer(XRD), Atomic Force Microscope(AFM) , UV–Vis spectrophotometer . The results show that the films were amorphous with small peaks appearing when doped with AuNPs . The XRD peaks of the deposited NiO:WO3 were enhanced with increasing t

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Publication Date
Sat Apr 30 2022
Journal Name
Iraqi Journal Of Science
Effect of Films Thickness on Structural and Optical Properties of Gold (Au) Thin Films Prepared by DC Magnetron Sputtering
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In this paper, the effect of films thickness on the structural and optical properties of gold (Au) thin films prepared by the DC sputtering method was studied. At three different deposition times, three samples of gold thin films of three different thicknesses (200,400, and 600 nm) were prepared. X-ray diffraction patterns, scanning electron microscopy (SEM), and atomic force microscopy (AFM) images, as well as optical spectroscopy, were used to characterize thin films. The crystalline structure of gold thin films was determined by the XRD pattern which showed to be cubic phase and polycrystalline in nature. The preferred orientation was (111) at 2Ѳ equal 37.4. The effect of deposition time on the morphology of the deposited films was v

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Publication Date
Sat Feb 27 2021
Journal Name
Iraqi Journal Of Science
Specifications study of Hydrophobic Silica Aerogel Doped with Rhodamine 6G Prepared via Sub-Critical Drying Technique
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The influence of dye laser Rhodamine 6G (R6G) on the molecular structure of silica aerogel prepared by normal drying method is reported. The study also tests the effect of dye concentration on morphological and physical properties. Fourier Transform Infrared Spectroscopy (FTIR) was used to examine this effect, in addition to Field Emission Scanning Electron Microscopy (FESEM), contact angle, and surface area measurement. It was found from FTIR data that the dye laser stays with the inner structure of samples and, at high concentration, it gives a good influence by reducing (OH) band and increasing (CH) band, leading to changing the contact angle from (123á´¼) to (145á´¼). Whereas particle size varied from 22 n

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Publication Date
Fri Apr 21 2023
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees22fr
Calculating the modes properties for glass optical fibers at He-Ne laser wavelength
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Publication Date
Sat Dec 30 2023
Journal Name
Iraqi Journal Of Science
Computational Analysis of Metallic- Nonmetallic Nanoparticle on Jeffery Hamel Nanofluid Flow Problem
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     In this article, we investigate the heat transfer on nanoparticles Jeffrey Hamel flow problem between two rigid plane walls. Water is used as a main fluid using four different types of nanoparticles, namely aluminum, cuprous, titanium, and silver. The results of nonlinear transformational equations with boundary conditions are solved analytically and numerically. The perturbation iteration scheme (PIS) is used for the analytic solution, while for determining the numerical results, the Rang-Kutta of the four-order scheme (RK4S) is used. The effects on the behavior of non-dimensional velocity and temperature distributions are presented in the form of tables and graphs for different values ​​of emerging physical parameters (Rey

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Publication Date
Thu Aug 01 2013
Journal Name
Micron
Computational investigation of electron path inside SEM chamber in mirror effect phenomenon
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