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Electronic and optical properties of nickel-doped ceria: A computational modelling study

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 effect 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
Tue Dec 01 2020
Journal Name
Iraqi Journal Of Physics
Pulsed laser deposition to investigate structural and optical properties of lead sulfide nanostructure

In this work, the structure properties of nano Lead sulfide PbS thin films are studied. Thin samples were prepared by pulse laser deposition and deposited on glass substrates at wavelength 1064nm wavelength with a various laser energies (200,300,400,500)nm. The study of atomic force microscope (AFM) and X-ray diffraction as well as the effect of changing the laser energy on the structural properties has been studied. It has been observed that the membrane formed is of the polycrystalline type and the predominant phase is the plane (111) and (200). The minimum grain size obtained was 16.5 nm at a laser energy about 200 mJ. The results showed that thin films of average granular sizes (75 nm) could be prepared.As for the optical properties,

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Publication Date
Fri Jul 28 2017
Journal Name
Iraqi Journal Of Science
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Publication Date
Sun Dec 05 2021
Journal Name
Iraqi Journal Of Science
Morphological and Optical Properties of CdS Quantum Dots Synthesized with different pH values

Quantum dots (QDs) of cadmium sulfide (CdS) was prepared by chemical
reaction method with different potential of hydrogen (pH) values. The
morphological and optical measurements of cadmium sulfide QDs were considered
by atomic force microscopy (AFM), ultraviolet-visible (UV-VIS.) and
photoluminescence (PL) spectrometer respectively. The energy gap (Eg) was
calculated from photoluminescence spectra were found to be about 2.7, 2.6 and 2.5
eV at pH values 8, 10 and 12 respectively for CdS QDs. The decreasing of energy
gaps is rises from the effect the pH solution increases, which in turn leads to the
shifted of the PL spectrum toward red shifted, which creates the energy bands at
surface states are shallow bands.

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Publication Date
Fri Nov 29 2019
Journal Name
Iraqi Journal Of Physics
Morphological and optical properties of V2O5:TiO2 thin film prepared by PLD technique

              In this work, pure and doped Vanadium Pentoxide (V2O5) thin films with different concentration of TiO2 (0, 0.1, 0.3, 0.5) wt  were obtained using Pulse laser deposition technique on amorphous glass substrate with thickness of (250)nm. The morphological, UV-Visible and Fourier Transform Infrared Spectroscopy (FT-IR) were studied. TiO2 doping into V2O5 matrix revealed an interesting morphological change from an array of high density pure V2O5 nanorods (~140 nm) to granular structure in TiO2-doped V2O5 thin film .Transform Infrared Spectro

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Publication Date
Tue May 01 2012
Journal Name
Iraqi Journal Of Physics
Structural and optical properties of BaTiO3 thin films prepared by pulsed laser deposition

BaTiO3 thin films have been deposited on Si (111) and glass substrates by using pulsed laser deposition technique. The films were characterized by using X-ray diffraction, atomic force microscope and optical transmission spectra. The films growth on Si after annealing at 873K showed a polycrystalline nature, and exhibited tetragonal structure, while on glass substrate no growth was noticed at that temperature. UV-VIS transmittance measurements showed that the films are highly transparent in the visible wavelength region and near-infrared region for sample annealing on glass substrate. The optical gap of the film were calculated from the curve of absorption coefficient (αhν) 2 vs. hν and was found tobe 3.6 eV at substrate temperature 5

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Publication Date
Tue Mar 30 2021
Journal Name
Iraqi Journal Of Science
Measurements of Linear and Nonlinear Optical Properties for Iraqi Heavy Crude Oil Samples

In this work, linear and nonlinear optical properties of two types of Iraqi heavy crude oil extracted from fields in southern Iraq were determined. The nonlinear optical properties were measured utilizing Z-scan technology with He-Ne laser at 632.8 nm. It was found that nonlinear refractive index (NLR) values for the Basra and Kut heavy crude oil samples are 6.34381×10-4  and 8.25108×10-4  cm2/mW, respectively, while those for the nonlinear absorption coefficient (NLA) are 2.68942×10-5  and 2.58874×10-5 , respectively. These results showed that the two samples with linear and nonlinear optical properties can be used in optics field applications as

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Publication Date
Sat Oct 28 2023
Journal Name
Baghdad Science Journal
Synthesis and investigation of structural and optical properties of CdO: Ag nanoparticles of various concentrations

This study discussed the effects of doping with silver (Ag) on the optical and structural properties of
CdO nanoparticles at different concentrations 0, 1, 2, 3, 4, 5 wt% prepared by the precipitation method. The
materials were annealed at 550˚C for 1 h. The structural, topographical, and optical properties were
diagnosed by X-ray diffraction analysis, atomic force instrument, and visible and ultraviolet spectrometers.
The results show that the average diameter of the grains depends on the percentage of added silver to the
material, as the diameter decreased from 88.8 to 59.7 nm, and it was found that the roughness increased from
5.56 to 26.5. When studying the optical properties, it was noted that th

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Publication Date
Wed Dec 01 2021
Journal Name
Iraqi Journal Of Physics
Optical and A.C. Electrical Properties for Polypyrrole and Polypyrrole/Graphene (ppy/gn) Nanocomposites

In this work, chemical oxidation was used to polymerize conjugated polymer "Polypyrrole" at room temperature Graphene nanoparticles were added by in situ-polymerization to get (PPY-GN) nano. Optical and Electrical properties were studied for the nanocomposites. optical properties of the nanocomposites were studied by UV-Vis spectroscopy at wavelength range (200 -800 nm). The result showed optical absorption spectra were normally determined and the result showed that the maximum absorbance wave length at 280nm and 590nm. The optical energy gap has been evaluated by direct transition and the value has decreased from (2.1 eV for pure PPy) to (1.3 eV for 5 %wt. of GN). The optical constants such as the band tail width ΔE was evaluated, the

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Publication Date
Sat Jul 01 2017
Journal Name
Energy Procedia
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Publication Date
Sat Nov 19 2022
Journal Name
Journal Of Solid State Electrochemistry
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