Preferred Language
Articles
/
0ha-4IYBVTCNdQwCtRFG
Electronic and optical properties of nickel-doped ceria: A computational modelling study
...Show More Authors

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.

Scopus Clarivate Crossref
View Publication Preview PDF
Quick Preview PDF
Publication Date
Tue Aug 31 2021
Journal Name
Iraqi Journal Of Science
A Comparative Study of Potential Energy Curves Analytical Representations for CO, N2, P2, and ScF in Their Ground Electronic States
...Show More Authors

     In this study, a detailed comparative analysis of four different potential energy functions is elaborated. These potential energy functions namely are Morse, Deng-Fan, Varshni, and Lennard-Jones. Furthermore, a mathematical representation for long-range region is elucidated. As a study case, four diatomic molecules (CO, N2, P2, and ScF) in their electronic ground states were chosen. Subsequently, the corresponding dissociation energy as well as some spectroscopic parameters were calculated accordingly.

View Publication Preview PDF
Scopus (4)
Crossref (4)
Scopus Crossref
Publication Date
Mon Mar 01 2021
Journal Name
Iraqi Journal Of Physics
Linear and Non-Linear Optical Properties for Organic Semiconductor (CuPc) Thin Films
...Show More Authors

Thin films of CuPc of various thicknesses (150,300 and 450) nm have been deposited using pulsed laser deposition technique at room temperature. The study showed that the spectra of the optical absorption of the thin films of the CuPc  are two bands of absorption one in the visible region at about 635 nm, referred to as Q-band, and the second in ultra-violet region where B-band is located at 330 nm. CuPc thin films were found to have direct band gap with values around (1.81 and 3.14 (eV respectively. The vibrational studies were carried out using Fourier transform infrared spectroscopy (FT-IR). Finally, From open and closed aperture Z-scan data non-linear absorption coefficient and non-linear refractive index have been calculated res

... Show More
View Publication Preview PDF
Crossref (2)
Crossref
Publication Date
Fri Feb 08 2019
Journal Name
Iraqi Journal Of Laser
Nonlinear Optical Properties of PMMA Composites Using Z-Scan Technique
...Show More Authors

The nonlinear refractive index and the nonlinear absorption coefficient of unmodified and functional poly(methyl methacrylate) PMMA films were studied before and after the addition of the filler by the z-scan technique, using a Q-switched Nd:YAG laser at two wavelengths: 532 nm and 1064 nm, and at three input energies (13, 33 and 53) mJ. Both linear and nonlinear refractive indices and absorption coefficients of polymer films were studied by using UV-VIS spectrophotometer. The results show that the creation of functional PMMA from unmodified PMMA will increase the nonlinear optical properties in the functional PMMA/copper matrix more than in the unmodified PMMA/copper matrix. Hence, the functional PMMA appears promising as a useful third

... Show More
View Publication Preview PDF
Publication Date
Wed Jan 01 2014
Journal Name
Journal Of The College Of Basic Education
Effect of annealing temperature on Structural and Optical properties of amorphous Selenium thin films
...Show More Authors

Publication Date
Mon May 22 2023
Journal Name
Proceedings Of The 1st International Conference On Frontier Of Digital Technology Towards A Sustainable Society
Effect of thermal annealing on the structural and optical properties of Sb2Se3 thin films
...Show More Authors

In this paper the effect of thermal annealing on the structural and optical properties of Antimony Selenide (Sb2Se3) is investigated. Sb2Se3 powder is evaporated on clean amorphous glass substrates at room temperature under high vacuum pressure (4.5×10-6 mbar) to form thin films. The structural investigation was done with the aid of X-ray diffraction (XRD) and atomic force microscopy (AFM). The amorphous to polycrystalline transformation of these thin films was shown by X-ray diffraction analysis after thermal annealing. These films' morphology is explained. (UV-Vis ) spectra in ranges from 300 to 1100 nm was used to examine the optical properties of the films .The absorption coefficient and optical energy gap of the investigated films are

... Show More
View Publication Preview PDF
Scopus Crossref
Publication Date
Sat Mar 18 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Effect of Annealing on The Structural and Optical Properties of SnS Thin Films
...Show More Authors

 Thin  films   of  pure   tin mono-sulfide  SnS with thicknesses of   (0.85) μm  were prepared by chemical spray  pyrolysis  technique  and  annealed for  two  hours with 673K.The effect of annealing on structural and optical properties for films prepared was  studied.  X-Ray   diffraction  analysis  showed   the  polycrystalline  with   orthorhombic structure.  It was  found  that   annealing process increased the intensity of diffraction peaks. Optical   properties  of  all  samples  were studied by  recording  the  absorption  and  transmission &nbsp

... Show More
View Publication Preview PDF
Publication Date
Thu Mar 09 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Effect of Gamma Ray Irradiation on Structural and Optical Properties of ZnO Thin Films
...Show More Authors

In this research, the structural and optical measurements were made on the Zinc oxide (ZnO) films prepared by two methods once by using chemical spray pyrolysis technique, and another by using thermal evaporation technique before and after irradiation by Gamma –Ray (γ – rays) from source type (Cs 137) with an energy (0.611)MeV as a function of gamma dose (0.15,0.3 and 0.45) Gy. The thickness of all films prepared by two method was about (300 ± 50) nm. XRD is used to characterize the structural properties, the results demonstrated that all samples prepared by two method before and after irradiation have polycrystalline structure with a preferred orientation (002).Also it showed that the structural properties are weakly

... Show More
View Publication Preview PDF
Publication Date
Mon Apr 10 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Effect of Doping Cu on the Structural and Optical Properties of (CdTe) Thin Films
...Show More Authors

   In this research we studied  the structural and optical properties of (CdTe) thin films which have been prepared  by thermal evaporation deposition method on the glass substrate at R.T with thickness (450  25) nm., as  a function of doping  ratio with copper element  in (1,3,5) % rate .The structure  measurement  by X-ray diffraction (XRD) analyses shows that the single phase of (CdTe) with polycrystalline structure with a preferred orientation [111].   The optical  measurement shows that the (CdTe) films have a direct energy gap, and they decrease with the increase of doping ratio reaching to 5% . The optical constants are investigated and calculated, such as absorpti

... Show More
View Publication Preview PDF
Publication Date
Mon Feb 01 2021
Journal Name
Journal Of Physics: Conference Series
Bayesian Computational Methods of the Logistic Regression Model
...Show More Authors
Abstract<p>In this paper, we will discuss the performance of Bayesian computational approaches for estimating the parameters of a Logistic Regression model. Markov Chain Monte Carlo (MCMC) algorithms was the base estimation procedure. We present two algorithms: Random Walk Metropolis (RWM) and Hamiltonian Monte Carlo (HMC). We also applied these approaches to a real data set.</p>
View Publication Preview PDF
Scopus (3)
Crossref (4)
Scopus Crossref
Publication Date
Thu Oct 31 2024
Journal Name
Archive Of Mechanical Engineering
Computational analysis of SD7037 airfoil with plain flap
...Show More Authors

The impact of a simple trailing-edge plain flap on the aerodynamics of the SD7037 airfoil have been studied in this paper using computational fluid dynamics at Reynolds number of 3×105 across various low angles of attack and flap deflection angles. The computational model was evaluated by using Star CCM+ software with κ--ω SST turbulence and gamma transition model to solve Navier-Stokes equations. The accuracy of the computational model has been confirmed through comparison with experimental data, showing a high level of agreement at low angles of attack. The findings revealed that specific combinations of angles of attack and flap deflection angles could increase the lift-to-drag ratio by over 70% compared to baseline conditions, benefi

... Show More
Scopus Crossref