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Investigating the Optoelectronic Properties of Hafnium-Doped CeO2 at Applied Hydrostatic Pressures: DFT+U Approach
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Rare-earth metal oxides (REMOs) exhibit distinctive properties, among which cerium oxide (CeO2) displays numerous industrial, technological, and medical applications. However, the inclusion of hafnium (Hf) at the cerium (Ce) site to form the (Ce1-ₓHfₓO2) lattice system at a concentration of x = 0.25 would have an impact on enhancing the physical properties of the simulated configuration. Density functional theory (DFT) was used to perform the calculations, supported by the Hubbard correction factor (U). The generalized gradient approximation (GGA-PBE) was employed to analyze the electronic, structural, optical, and mechanical properties at hydrostatic pressures (P = 0, 25, 50, 75, and 100 GPa). The ground state geometry of the pristine fluorite CeO2 corresponds to 5.438 Å, signifying an excellent agreement with the available published literature. The calculated lattice parameter of Ce0.75Hf0.25O2 is diminished to 5.327 Å as compared with CeO2. Furthermore, CeO2 exhibits a semiconductor character with a direct band gap of 3.134 eV, while the band gap of the Ce0.75Hf0.25O2 system was reported to be 3.073 eV, demonstrating slight degradation. However, under pressure, the results demonstrate a gradual increment in the band gap energy of Ce0.75Hf0.25O2 until reaching 3.861 eV at 100 GPa. Furthermore, the thermodynamic feasibility was investigated via the chemical potential approach. The pressure-dependent optical properties were extensively discussed of Ce0.75Hf0.25O2, demonstrating enhanced optical properties in the ultraviolet (UV) region, motivating its suitable utility for optoelectronic memristors and other photonic applications.

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Publication Date
Tue Aug 03 2021
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
The role of the forensic accounting philosophy in the transparency and quality of financial statements: : An applied study on a sample of workers at the Trade bank of Iraq and the Gulf Commercial Bank in Babylon
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This research aims to identify the role that forensic accounting plays on the transparency and quality of the financial statements in trade bank of Iraq and the Gulf Commercial Bank in Babylon. This research came to address the problem that most financial institutions suffer from, which is represented by the lack of transparency and the quality of the financial statements issued in a manner. Annual also the manipulation and fraud in the financial data, which causes a big gap between that institutions and organizational stakeholders. According to the implementation of the research hypothesis and the objectives of the research, a questionnaire was prepared consisting of three axes, the first axis dealing with the demographic distri

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Publication Date
Sun Jan 01 2023
Journal Name
Inorganic Chemistry Communications
Detection of nitrotyrosine (Alzheimer's agent) by B24N24 nano cluster: A comparative DFT and QTAIM insight
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A nano-sensor for nitrotyrosine (NT) molecule was found by studying the interactions of NT molecule with new B24N24 nanocages. It was calculated using density functionals in this case. The predicted adsorption mechanisms included physical and chemical adsorption with the adsorption energy of −2.76 to −4.60 and −11.28 to −15.65 kcal mol−1, respectively. The findings show that an NT molecule greatly increases the electrical conductivity of a nanocage by creating electronic noise. Moreover, NT adsorption in the most stable complexes significantly affects the Fermi level and the work function. This means the B24N24 nanocage can detect NT as a Φ–type sensor. The recovery time was determined to be 0.3 s. The sensitivity of pure BN na

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Publication Date
Fri Apr 01 2022
Journal Name
International Journal Of Nanoscience
Study of the Interaction Between Reduced Graphene Oxide and NO<sub>2</sub>Gas Molecules via Density Functional Theory (DFT)
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Electronic properties such as density of state, energy gap, HOMO (the highest occupied molecular orbital) level, LUMO (the lowest unoccupied molecular orbital) level and density of bonds, as well as spectroscopic properties like infrared (IR), Raman scattering, force constant, and reduced masses for coronene C24, reduced graphene oxide (rGO) C24O5and interaction between C24O5and NO2gas molecules were investigated. Density functional theory (DFT) with the exchange hybrid function B3LYP with 6-311G** basis sets through the Gaussian 09 W software program was used to do these calculations. Gaussian view 05 was em

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Publication Date
Sun Dec 20 2020
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Importance of obligation to the rules of professional conduct and its impact on tax revenues: An applied research in a sample of companies registered at the Department of the Public Authority for corporate taxes
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The researcher  tried to show the importance of obligation with the rules of professional conduct set by the Association of Accountants and Auditors of Iraqis when expressing an opinion the financial statements submitted tax administration and enhance the confidence of these lists, and adopted in the tax settling accounts process and its impact on tax revenues, and touched a researcher at the theoretical side of the search to the problem of research and of my Is there a trace of non- not to obligation by the rules of professional conduct in Iraq affect the tax revenue with the rules of professional conduct in tax revenue for companies research sample, the research aims to study the rules of professional conduct set by the Associatio

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Publication Date
Thu Sep 15 2022
Journal Name
Al-academy
The semiotic approach in analyzing contemporary graphic text
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With a great diversity in the curriculum contemporary monetary and visions, and development that hit the graphic design field, it has become imperative for the workers in the contemporary design research and investigation in accordance with the intellectual treatises and methods of modern criticism, because the work design requires the designer and recipient both know the mechanics of tibographic text analysis in a heavy world of texts and images varied vocabulary and graphics, and designer on before anyone else manages the process of analysis to know what you offer others of shipments visual often of oriented intended from behind, what is meant, in the midst of this world, the curriculum Alsemiae directly overlap with such diverse offer

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Publication Date
Sat Jul 01 2023
Journal Name
Iop Conference Series: Earth And Environmental Science
Determination the Wheat Weight and Volume: Mathematical Approach
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Abstract<p>Grain size and shape are important yield indicators. A hint for reexamining the visual markers of grain weight can be found in the wheat grain width. A digital vernier caliper is used to measure length, width, and thickness. The data consisted of 1296 wheat grains, with measurements for each grain. In this data set, the average weight (We) of the twenty-four grains was measured and recorded. To determine measure of the length (L), width (W), thickness (T), weight (We), and volume(V). These features were manipulated to develop two mathematical models that were passed on to the multiple regression models. The results of the weight model demonstrated that the length and width of the grai</p> ... Show More
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Publication Date
Sun Jun 20 2021
Journal Name
Baghdad Science Journal
Investigating the Aerodynamic Surface Roughness Length over Baghdad City Utilizing Remote Sensing and GIS Techniques
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This study calculated the surface roughness length (Zo), zero-displacement length (Zd) and height of the roughness elements (ZH) using GIS applications. The practical benefit of this study is to classify the development of Baghdad, choose the appropriate places for installing wind turbines, improve urban planning, find rates of turbulence, pollution and others. The surface roughness length (Zo) of Baghdad city was estimated based on the data of the wind speed obtained from an automatic weather station installed at Al-Mustansiriyah University, the data of the satellite images digital elevation model (DEM), and the digital surface model (DSM), utilizing Remote Sensing Techniques. The study area w

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Publication Date
Sun Dec 18 2022
Journal Name
College Of Education For Women
Investigating Iraqi EFL Teachers Problems with English for Iraq Series
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Iraqi EFL teachers face problems in teaching “English for Iraq Series” for primary public school pupils. In this paper, the researchers are going to identify the main problems faced by our teachers and try to find solutions to these problems. To achieve the aim of the study, list of questions asked and from teachers’ responses, the researchers have got an idea about the main problems which are related to textbook material, parents, learners, environment and technology. Therefore, the researchers adapted a questionnaire to achieve the purpose of the study with some changes and modifications. This questionnaire with five point scale (strongly agree, agree, undecided, disagree, strongly disagree). To achieve face validity, the

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Publication Date
Fri Feb 08 2019
Journal Name
Journal Of The College Of Education For Women
Investigating Color Idioms and their Translation from English into Arabic
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Colors are universal, and throughout the ages, they have been associated with
various religious, social and spiritual meanings. They symbolize a galaxy of things
to designate certain ideas or symbols that are sometimes contradictory.
The present study is an attempt to investigate colors, their meanings and
symbolism, and the approaches to translating color idioms from English into
Arabic. It fathoms one of the thorny areas for translation theorists let alone
practitioners. Various definitions, classifications of types and symbolism across
cultures are provided. After reviewing idioms and methods of translating them, a
survey of 114 sentences that include color idioms was conducted to see which
method is mostly

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Publication Date
Thu Aug 11 2016
Journal Name
Advanced Materials
Contact Resistance Effects in Highly Doped Organic Electrochemical Transistors
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