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Ab–Initio large unit cell calculations of the electronic structure of Si and Ge nanocrystals
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Ab – initio restricted Hartree - Fock method within the framework of large unit cell (LUC) formalism is used to investigate the electronic structure of Si and Ge nanocrystals. The surface and core properties are investigated. A large unit cell of 8 atoms is used in the present analysis. Cohesive energy, energy gap, conduction and valence band widths are obtained from the electronic structure calculations. The results are compared with available experimental data and theoretical results of other investigators. The calculated lattice constant is found to be slightly larger than the corresponding experimental value because we use only 8 atoms and we compared the results with that of the bulk crystals, nanoclusters are expected to have stronger directional bonds that in their bulk structure. The surface states are found to be mostly non-degenerated because of the effect of surface discontinuity and the existence of oxygen atoms. Valence and conduction bands are found to be wider on the surface due to the splitting of energy levels due to the existence of oxygen atoms. The present method can be used to investigate the electronic structure of bulk, surface and nanocrystals.

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Publication Date
Thu Aug 01 2024
Journal Name
Journal Of Engineering Research
Design, analysis and development of a proton exchange membrane in fuel cell
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Publication Date
Tue Jul 15 2025
Journal Name
Digest Journal Of Nanomaterials And Biostructures
Effect of pointer-laser radiation on the structure of Hg0.15Ag0.85Ba2Ca2Cu3-xAgx O6+δ superconducting compound
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Samples of Hg0.15Ag0.85Ba2Ca2Cu3-xAgx O6+δ with x =0.0, 0.05, 0.1 and 0.15 were prepared using the standard solid-state reaction technique. The study used X-ray diffraction XRD analysis and a scanning electron microscope to examine how the partial substitution of silver in superconductors, along with 90 seconds of laser irradiation, affected their structures. The XRD analysis exposed a tetragonal structure for all samples, increasing the lattice constant a by the increasing of x compared to the sample with no silver substance. Also, it was found that changing the concentrations of silver in the samples leads to a change in density ρm and HTP (high-temperature phase). After exposure to laser radiation, there were variances in latti

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Publication Date
Thu Jan 01 2009
Journal Name
Bulletin Of Voronezh State University. The Series "linguistics And Intercultural Communication"
The word-formation structure of zoocomposites with a verb base in various types of languages
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Publication Date
Fri Nov 11 2022
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
Ambidexteritg leadership behaviors in organizational excellence Comparative : applied research in the two public companies, Al-Zawraa and the electrical and electronic industries
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Business organizations strive to reach organizational excellence, in instruction to maintain their position in the market, so the research started from the problem of the weakness of the senior leaders in the two companies investigated in the management and sustainability of work, as well as their inability to face challenges that could affect the work of the two companies in the future, especially the lack of organizational of the future and the prediction of those events, so the two companies seek to explore and invest opportunities to achieve organizational excellence. The research aims to know the role of Ambidexterity  leadership behaviors in organizational excellence in my company .and create ideas that will achieve organizati

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Publication Date
Tue Jun 30 2015
Journal Name
Al-khwarizmi Engineering Journal
Integral Sliding Mode Control Design for Electronic Throttle Valve System
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Abstract

 One of the major components in an automobile engine is the throttle valve part. It is used to keep up with emissions and fuel efficiency low. Design a control system to the throttle valve is newly common requirement trend in automotive technology. The non-smoothness nonlinearity in throttle valve model are due to the friction model and the nonlinear spring, the uncertainty in system parameters and non-satisfying the matching condition are the main obstacles when designing a throttle plate controller.

In this work, the theory of the Integral Sliding Mode Control (ISMC) is utilized to design a robust controller for the Electronic Throttle Valve (ETV) system. From the first in

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Publication Date
Sat Jan 01 2022
Journal Name
Proceeding Of The 1st International Conference On Advanced Research In Pure And Applied Science (icarpas2021): Third Annual Conference Of Al-muthanna University/college Of Science
Theoretical study and calculation of electronic current flow at platinum metal contact with TFP molecule systems
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Publication Date
Sat Feb 01 2020
Journal Name
Optik
Composition effects on formation energies, electronic and vibrational properties of ZnCdS wurtzoid molecules: A DFT study
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Publication Date
Wed Feb 01 2023
Journal Name
Asian Pacific Journal Of Cancer Prevention
Cytotoxic Activity of the Ethyl Acetate Extract of Iraqi Carica papaya Leaves in Breast and Lung Cancer Cell Lines
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Publication Date
Sun Mar 01 2015
Journal Name
Spectrochimica Acta Part A: Molecular And Biomolecular Spectroscopy
Effect of solvents on the extraction of natural pigments and adsorption onto TiO2 for dye-sensitized solar cell applications
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Publication Date
Mon Feb 03 2025
Journal Name
Nanomaterials
Impact of Silver and Copper Oxide Nanoparticles on Anaerobic Digestion of Sludge and Bacterial Community Structure
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The effect of metal nanoparticles on the anaerobic digestion of sludge and the sludge bacterial community are still not well-understood, and both improvements and inhibitions have been reported. This study investigated the impact of 2, 10, and 30 mg/g TS silver and copper oxide nanoparticles (AgNPs and CuONPs) on the mesophilic anaerobic digestion of sludge and the bacterial community structure. The reactors were monitored for changes in tCOD, sCOD, TS, VS, biogas generation, and cell viability. Also, the relative abundance and taxonomic distribution of the bacterial communities were analyzed at the phylum and genus levels, including the genera involved in anaerobic digestion. Both AgNPs and CuONPs exhibited some inhibition on anaer

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