Search Results - "Ajeel, Fouad N."

Influence of the boron doping and Stone–Wales defects on the thermoelectric performance of graphene nanoribbons by Ajeel, Fouad N., Ahmed, Ali Ben

“…Density Functional-based Tight-Binding coupled with Non-Equilibrium Green Function calculations is used to study the influence of the boron substitutional…”
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Thermoelectric properties of armchair graphene nanoribbons: importance of quantum confinement by Ajeel, Fouad N., Ahmed, Ali Ben

“…To investigate the effect of quantum confinement on the thermoelectric properties of armchair graphene (AGNRs) at different temperatures, we have used density…”
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Enhancement of the thermoelectric performance of a single-walled carbon nanotube via Al, Si, P, and S impurities by Ajeel, Fouad N.

“…Using the tight-binding approach based on density functional theory (DFT) and nonequilibrium Green's function (NEGF) computations, the potential use of…”
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Effect of ZnO dimers on the thermoelectric performance of armchair graphene nanoribbons by Ajeel, Fouad N., Ahmed, Ali ben

“…    Enhancing the thermoelectric performance in engineered graphene nanoribbons is used to produce thermoelectric nanodevices, which are important in many…”
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Tuning the thermoelectric properties of graphene nanoribbons by vacancy defect with Ge-doping by Ajeel, Fouad N., Ahmed, Ali Ben

“…In this work, the influence of vacancy defects and germanium (Ge)-doping on structural stability, electronic and thermoelectric (TE) characteristics of…”
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Theoretical (DFT and TDDFT) insights into the effect of polycyclic aromatic hydrocarbons on Monascus pigments and its implication as a photosensitizer for dye-sensitized solar cells by Khudhair, Alaa M., Ajeel, Fouad N., Mohammed, Mohammed H.

“…Monascus pigments (MPs) as natural food pigments which have been extensively used in food industries, specifically in China, Japan, and other countries of…”
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Enhanced thermoelectric performances in graphene nanoribbons via BN dimers doping: Theoretical study by Ajeel, Fouad N., Ahmed, Ali Ben

“…Improving the thermoelectric performance of designed graphene nanoribbons is a key stage in the production of thermoelectric nanodevices with many…”
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Pd doped carbon nanotubes as a drug carrier for Gemcitabine anticancer drug: DFT studies by Ajeel, Fouad N., Bardan, Kareem H., Kareem, Saja H., Khudhair, Alaa M.

“…A calculation based on density functional theory has been used to study the ability of Pd doped armchair single-walled armchair carbon nanotubes as a drug…”
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Enhancement the electronic and optical properties of the graphene nanoflakes in the present S impurities by Khudhair, Alaa M., Mohammed, Mohammed H., Ajeel, Fouad N., Mohammed, Safaa Halool

“…Electronic and optical properties of the graphene nanoflakes (GNFs) are investigated with and without various concentrations of S impurities in different…”
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Influence of B, Si, Ge, and As impurities on the electronic properties of graphene quantum dot: A density functional theory study by Khamees, Salam K., Ajeel, Fouad N., Mohsin, Kareem H., Mutier, Mohammed N.

“…The electronic features of chemically functionalized graphene quantum dots (GQDs) are investigated using density functional theory (DFT). The fabrication of…”
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Effect of AlN dimers on the electronic properties of graphene quantum dot: DFT investigations by Ajeel, Fouad N., Khamees, Salam K., Mohsin, Kareem H., Mutier, Mohammed N.

“…Tuning the electronic properties of engineered graphene quantum dots (GQDs) is used to produce nanoelectronic devices, which are important in many…”
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Theoretical Study on Electronic Properties of BN Dimers Doped Graphene Quantum dots by Ajeel, Fouad N., Mutier, Mohammed N., Mohsin, Kareem H., Khamees, Salam K., Khudhair, Alaa M., Ahmed, Ali Ben

“…Using density functional theory (DFT), we investigate the structural, stability, and electronic properties of boron nitride (BN) dimers cooped graphene quantum…”
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Theoretical insights into tunable electronic properties of graphene quantum dots through ZnO doping by Ajeel, Fouad N., Mohsin, Kareem H., Shakier, Hussein G., Khamees, Salam K., Mutier, Mohammed N.

“…Quantum dots are interesting systems because they can be tuned electronically. We used graphene quantum dots (GQDs) known as the formula C24H12 as a model for…”
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DFT study of adsorption properties of the ammonia on both pristine and Si-doped graphene nanoflakes by Bardan, Kareem H., Ajeel, Fouad N., Mohammed, Mohammed H., Khudhair, Alaa M., Ahmed, Ali Ben

“…Investigation of the interactions between nanomaterials and molecules at the molecular level is a crucial factor in the design of novel materials for…”
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SWCNT as a Model Nanosensor for Associated Petroleum Gas Molecules: Via DFT/B3LYP Investigations by Ajeel, Fouad N., Mohammed, Mohammed H., Khudhair, Alaa M.

“…Abstrac We investigated the adsorption of associated petroleum gas (APG) molecules: methane (CH 4 ), ethane (C 2 H 6 ), propane (C 3 H 8 ), butane (C 4 H 10 ),…”
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Tuning the electronic properties of the fullerene C20 cage via silicon impurities by Ajeel, Fouad N., Mohammed, Mohammed H., Khudhair, Alaa M.

“…The fullerene C 20 represents one of the most active classes of nanostructures, and they have been widely used as active materials for important applications…”
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Theoretical Study of the Electronic and Optical Properties to Design Dye-Sensitivity for Using in Solar Cell Device by Khudhair, Alaa M., Ajeel, Fouad N., Mohammed, Mohammed H.

“…In this work, the structural and optoelectronic properties of phenanthrene-1,3,4-thaidiazoles oligomers were calculated using density functional theory (DFT)…”
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Influence of oxygen impurities on the electronic properties of graphene nanoflakes by Al-Abboodi, Mohammed H., Ajeel, Fouad N., Khudhair, Alaa M.

“…Controlled chemical doping with oxygen impurities is a promising approach for the electronic band engineering of graphene nanoflakes (GNFs). Based on the…”
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Engineering and design of simple models from dye-sensitive of solar cells and photovoltaic cells applications: Theoretical study by Khudhair, Alaa M., Ajeel, Fouad N., Mohammed, Mohammed H.

“…[Display omitted] •Designing small compounds as dye sensitive for using in solar cell and photovoltaic application.•Studying the effective of the donor and…”
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Energy bandgap engineering of graphene nanoribbon by doping phosphorous impurities to create nano-heterostructures: A DFT study by Ajeel, Fouad N., Mohammed, Mohammed H., Khudhair, Alaa M.

“…Energy bandgap engineering is used to produce semiconductor heterostructure systems that perform processes such as the resonant tunneling in nanoelectronics…”
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