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
Thu Mar 03 2022
Journal Name
Trends In Sciences
Computational Study of Charge Density Produced in N2: H2 Plasma Actuator
...Show More Authors

Numerical simulation of charge density produced in plasma actuators is dependent upon the development of models dealing with electrical properties. The main aim of this work is to investigate the characteristics surface charge density and space charge density of DBD plasma actuator. A simple design of surface dielectric barrier discharge plasma actuator is used in the study. The discharge gas was N2:H2 mixture with applied voltage equal to 1.5 kV. A theoretical plasma model is used to establish the charge density details. Results show that surface charge density increased in value and spread in width alone the exposed electrode as the voltage increased and reached to the amplitude value.

Preview PDF
Publication Date
Thu May 18 2017
Journal Name
Semiconductor Science And Technology
Improving the optoelectronic properties of titanium-doped indium tin oxide thin films
...Show More Authors

View Publication
Scopus (20)
Crossref (20)
Scopus Clarivate Crossref
Publication Date
Mon Feb 04 2019
Journal Name
Iraqi Journal Of Physics
Structural and photoluminescence properties of CdO doped TiO2 thin films prepared by pulsed laser deposition
...Show More Authors

TiO2 thin films have been deposited at different concentration of
CdO of (x= 0.0, 0.05, 0.1, 0.15 and 0.2) Wt. % onto glass substrates
by pulsed laser deposition technique (PLD) using Nd-YAG laser
with λ=1064nm, energy=800mJ and number of shots=500. The
thickness of the film was 200nm. The films were annealed to
different annealing (423 and 523) k. The effect of annealing
temperatures and concentration of CdO on the structural and
photoluminescence (PL) properties were investigated. X-ray
diffraction (XRD) results reveals that the deposited TiO2(1-x)CdOx
thin films were polycrystalline with tetragonal structure and many
peaks were appeared at (110), (101), (111) and (211) planes with
preferred orientatio

... Show More
View Publication Preview PDF
Crossref
Publication Date
Mon Jul 01 2019
Journal Name
Iop Conference Series: Materials Science And Engineering
Increasing confidence in full field modelling and water flood planning for a giant reservoir under primary depletion through Material Balance modelling
...Show More Authors
Abstract<p>One of the principle inputs to project economics and all business decisions is a realistic production forecast and a practical and achievable development plan (i.e. waterflood). Particularly this becomes challenging in supergiant oil fields with medium to low lateral connectivity. The main objectives of the Production Forecast and feasibility study for water injection are:</p><p>1- Provide an overview of the total expected production profile, expected wells potential/spare capacity, water breakthrough timing and water cut development over time</p><p>2- Highlight the requirements to maintain performance, suggest the optimum developmen</p> ... Show More
View Publication
Scopus Crossref
Publication Date
Sun Oct 01 2023
Journal Name
Iraqi Journal Of Applied Physics
Fabrication and Investigation of Structural, Optical and Dielectric Properties of ZnO:MnO2 Composites
...Show More Authors

In this work, (ZnO)1-x(MnO2)x compounds were synthesized with composition (x=0, 0.1, 0.2, 0.3, 0.4, and 0.5) of manganese oxide content using solid state reaction. Thin films were prepared from these compounds on glass substrates at room temperature using pulsed laser deposition method. The structure of the prepared compounds and thin films were analyzed using x-ray diffraction while the optical properties was measured using UV-visible spectrophotometry. It was found that the synthesized composites declared many peaks in the diffraction pattern which indicate polycrystalline structure with hexagonal wurtzite hexagonal structure of ZnO, and MnO2 and Mn2O3 secondary phases. A narrowing in the optical energy gap was found as Mn content increas

... Show More
View Publication
Scopus (5)
Scopus
Publication Date
Tue May 01 2012
Journal Name
Iraqi Journal Of Physics
Nano-Scale core effects on electronic structure properties of gallium arsenide
...Show More Authors

Ab – initio density function theory (DFT) calculations coupled with Large Unit Cell (LUC) method were carried out to evaluate the electronic structure properties of III-V zinc blend (GaAs). The nano – scale that have dimension (1.56-2.04)nm. The Gaussian 03 computational packages has been employed through out this study to compute the electronic properties include lattice constant, energy gap, valence and conduction band width, total energy, cohesive energy and density of state etc. Results show that the total energy and energy gap are decreasing with increase the size of nano crystal . Results revealed that electronic properties converge to some limit as the size of LUC increase .

View Publication Preview PDF
Publication Date
Mon Oct 16 2023
Journal Name
Nano And Medical Materials
Preparation and analysis of silver Nanoparticles (Ag Nps) by plant extract techniques of green tea and study optical and structural properties
...Show More Authors

Aqueous root extract has been used to examine the green production of silver nanoparticles (AgNPs) by reducing the Ag+ ions in a silver nitrate solution. UV-Vis spectroscopy, X-ray diffraction, field emission scanning electron microscopy, and Fourier transform infrared spectroscopy (FTIR) were used to analyze the produced AgNPs. The AgNPs that were created had a maximum absorbance at 416 nm, were spherical in form, polydispersed in nature, and were 685 nm in size.The AgNPs demonstrated antibacterial efficacy against Escherichia coli and Staphylococcus. The dengue vector Aedes aegypti's second instar larvae were very susceptible to the AgNPs' powerful larvicidal action.

View Publication
Crossref (5)
Crossref
Publication Date
Sat Jul 01 2017
Journal Name
Energy Procedia
Study characteristics of (epoxy–bentonite doped) composite materials
...Show More Authors

View Publication
Scopus (15)
Crossref (12)
Scopus Clarivate Crossref
Publication Date
Thu Jan 30 2020
Journal Name
Neuroquantology
Electronic Transfers and (NLO) Properties Predicted by AB Initio Methods with Prove Experimentally
...Show More Authors

Hartree-Fock (HF) method relies in the calculations of nonlinear optical properties (NLO) for benzoic acid molecule. Also, another theoretical study is conducted by using the TD-DFT Density Functional Theory through B3LYP/High Base Set 6-311++G (2d,2p) on Gaussian program09. Moreover, an experimental study has been done to obtain the electrons spectrum for benzoic acid with and without ethanol. While the experimental study is done by using UV/VIS. spectrophotometer. Energy gap values of electronic transition between HOMO and LUMO is obtained from theoretical and experimental results. Consequently, the theoretical result for determining the energy gap calculated from EHOMO-LUMO wasvery close to the results of UV / VIS. spectrum. A theoretica

... Show More
View Publication
Scopus (33)
Crossref (24)
Scopus Crossref
Publication Date
Fri May 01 2015
Journal Name
Ibn Al-haitham J. For Pure & Appl. Sci.
Study the Effect of Irradiation on Structural and Optical Properties of (CdO) Thin Films that Prepared by Spray Pyrolysis
...Show More Authors

In this research, the study effect of irradiation on structural and optical properties of thin film (CdO) by spray pyrolysis method, which deposited on glasses substrates at a thickness of (350±20)nm , The flow rate of solution was 5 ml/min and the substrate temperature was held constant at 400˚C.The investigation of (XRD) indicates that the (CdO) films are polycrystalline and type of cubic. The results of the measuring of each sample from grain size, micro strain, dislocation density and number of crystals the grain size decreasing after irradiation with gamma ray from(27.41, 26.29 ,23.63)nm . The absorbance and transmittance spectra have been recorded in the wavelength range (300-1100) nm in order to study the optical properties. the op

... Show More