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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
Sun Dec 01 2002
Journal Name
Iraqi Journal Of Physics
Preparation of thin films of SiCN from gas-phase reaction induced by TEA-CO2 laser and study of their optical properties

In this paper, silicon carbonitried thin films were prepared by the method of photolysis of the silane (SiH4) and ethylene (C2H4) gases, with and without ammonia gas (NH3), which is represented by the ratio between the (PNH3) and (PSiH4 + PC2H4 + PNH3), (which assign by the letter X), X has the values (0, 0.13, 0.33). This method carried out by using TEA-CO2 laser, on glass substrate at (375 oC), deposition rate (0.416-0.833) nm/pulse thin film thickness of (500-1000) nm. The optical properties of the films were studied by using Absorbance and Transmittance spectrums in wavelength range of (400-1100) nm, the results showed that the electronic transitions is indirect and the energy gap for the SiCN films increase with increasing of nitrog

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Publication Date
Tue May 15 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study of the Influence of Annealing Temperature on the Structural and Optical Properties of ZnTe Prepared by Vacuum Thermal Evaporation Technique

   The ZnTe alloy was prepared as  deposited thin films on the glass substrates at a thickness of 400±20 nm using vacuum evaporation technique at pressure (1 × 10-5) mbar and room temperature. Then the thin films under vacuum (2 × 10-3 mbar) were annealing at (RT,100 and 300) °C for one hour. The structural properties were studied by using X-ray diffraction and AFM, the results show that the thin films had approached the single crystalline in the direction (111) as preferred orientation of the structure zinc-blende for cubic type, with small peaks of tellurium (Te) element for all prepared thin films. The calculated crystallite size (Cs) decreased with the increase in the anne

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Publication Date
Mon Mar 11 2019
Journal Name
Baghdad Science Journal
A Spectral, Optical, Microscopic Study, Synthesis and Characterization of PVC Films Containing Schiff Base Complexes

In this work, synthesis of conducting polymeric films namely, PVC thin films was carried out containing Schiff base (L) with Cu2+, Cr3+, Ni2+, Co2+, in addition to inspecting the possibilities of measuring energy gap values of PVC-L-M with variety metal ions. These new polymeric films (PVC-L-M) were characterized by FTIR spectrophotometry, energy gap and surface morphology. The optical data recorded that the band gap values are influenced by the type of metals. All modified films have a red shift in optical properties in the ultraviolet region. The PVC-L-Co(II) was the lowest value of the optical band gap, 3.1 eV.

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Publication Date
Sun Sep 07 2008
Journal Name
Baghdad Science Journal
Study the effect by CO2 laser on some optical properties of (Cd) thin film doping by Ni

In this research study the effect of irradiation by (CW) CO2 laser on some optical properties of (Cds) doping by Ni thin films of (1)µm thickness has been prepared by heat evaporation method. (X-Ray) diffraction technique showed the prepared films before and after irradiation are ploy crystalline hexagonal structure, optical properties were include recording of absorbance spectra for prepared films in the range of (400-1000) nm wave lengths, the absorption coefficient and the energy gap were calculated before and after irradiation, finally the irradiation affected (CdS) thin films by changing its color from the Transparent yellow to dark rough yellow and decrease the value absorption coefficient also increase the value of energy gap.

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Publication Date
Sat Dec 30 2023
Journal Name
Iraqi Journal Of Science
Effect of Thickness and Thermal Annealing on Optical Properties of Sb Thin films

Antimony (Sb) films are fabricated by depositing (Sb) on glass substrates at room
temperature by the method of vacuum evaporation with thickness (0.25 and 0.51m),
with rate of deposition equal to (2.77Å/sec), the two samples are annealed in a
vacuum for one hour at 473K. The optical constants which are represented by the
refractive index (n), extinction coefficient (k) were determined from transmittance
spectram in the near Infrared(2500-3500 )nm regions. The tests have been shown
that the optical energy gap increases with increasing of annealing temperature for
the two samples.

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Publication Date
Sun Feb 03 2019
Journal Name
Iraqi Journal Of Physics
Effect of CuI concentration on structural and optical properties of PVA: CuI nanocomposites

The nanocomposite on the base of synthesis Copper iodide
nanoparticles and polyvinyl alcohol (PVA/CuI) with different
concentration of CuI were obtained using casting technique.
PVA/CuI polymer composite samples have been prepared and
subjected to characterizations using FTIR spectroscopy, The FTIR
spectral analysis shows remarkable variation of the absorption peak
positions with increasing CuI concentration. The obtained results by
X-ray diffraction indicated the formation of cubic CuI particles. The
effects of CuI concentrations on the optical properties of the PVA
films were studied in the region of wavelength, (190-1100) nm.
From the derivation of Tauc's relation it was found that the direct
allowed t

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Publication Date
Tue Sep 01 2020
Journal Name
Heliyon
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Publication Date
Wed Jan 01 2020
Journal Name
Cogent Engineering
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Publication Date
Tue Dec 06 2016
Journal Name
Chalcogenide Letters
Publication Date
Sat Jan 05 2019
Journal Name
Iraqi Journal Of Physics
Study of optical bistability in a fully optimized laser Fabry-Perot system

The analytical study of optical bistability is concerned in a fully
optimized laser Fabry-Perot system. The related phenomena of
switching dynamics and optimization procedure are also included.
From the steady state of optical bistability equation can plot the
incident intensity versus the round trip phase shift (φ) for different
values of dark mistuning 

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12
,
6
,
3
,
1.5
0 , o
   
 or finesse (F= 1, 5, 20,
100). In order to obtain different optical bistable loops. The inputoutput
characteristic for a nonlinear Fabry-Perot etalon of a different
values of finesse (F) and using different initial detuning (φ0) are used
in this rese

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