Preferred Language
Articles
/
VeaLA58BmraWrQ4dCmk_
Investigating the Optoelectronic Properties of Hafnium-Doped CeO2 at Applied Hydrostatic Pressures: DFT+U Approach
...Show More Authors

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.

Scopus
Publication Date
Sat Jun 01 2024
Journal Name
Alexandria Engineering Journal
U-Net for genomic sequencing: A novel approach to DNA sequence classification
...Show More Authors

The precise classification of DNA sequences is pivotal in genomics, holding significant implications for personalized medicine. The stakes are particularly high when classifying key genetic markers such as BRAC, related to breast cancer susceptibility; BRAF, associated with various malignancies; and KRAS, a recognized oncogene. Conventional machine learning techniques often necessitate intricate feature engineering and may not capture the full spectrum of sequence dependencies. To ameliorate these limitations, this study employs an adapted UNet architecture, originally designed for biomedical image segmentation, to classify DNA sequences.The attention mechanism was also tested LONG WITH u-Net architecture to precisely classify DNA sequences

... Show More
View Publication Preview PDF
Scopus (3)
Crossref (3)
Scopus Clarivate Crossref
Publication Date
Tue Oct 25 2022
Journal Name
Chalcogenide Letters
Study the properties of Cu2Se thin films for optoelectronic applications
...Show More Authors

Copper selenide (Cu2Se) thin films were prepared by thermal evaporation at RT with thickness 500 nm. The heat-treating for (400 &500) K for the absorber layer has been investigated. This research includes, studying the structural properties of X-ray diffraction (XRD) that show the Cu2Se thin film (Cubic) and has a polycrystalline orientation prevalent (220). Moreover, studying the effect of annealing on their surface morphology properties by using Atomic Force Microscopy AFM. Optical properties were considered using the transmittance and absorbance spectra had been recorded when wavelength range (400 - 1000) nm in order to study the absorption coefficient and energy gap. It was found that these films had allowed direct transitio

... Show More
View Publication
Scopus (21)
Crossref (19)
Scopus Clarivate Crossref
Publication Date
Thu Nov 01 2001
Journal Name
Renewable Energy
Optoelectronic properties of a-Si1−xGex:H thin films
...Show More Authors

View Publication
Scopus (1)
Scopus Clarivate Crossref
Publication Date
Fri Sep 27 2024
Journal Name
International Journal Of Pharmaceutical Investigation
Investigating the Effect of Mixed Hydrotropy Approach on Solubility Enhancement of Felodipine
...Show More Authors

View Publication Preview PDF
Crossref (3)
Clarivate Crossref
Publication Date
Fri Mar 01 2019
Journal Name
Al-khwarizmi Engineering Journal
The Effect of Additives on The Performance of Hydrostatic Thrust Bearings
...Show More Authors

 

The paper is concerned with, the behavior of the hydrostatic thrust bearings lubricated with liquid-solid lubricants using Einstein viscosity formula, and taking into account the centrifugal force resulting from high speed.  Also studied is the effect of the bearing dimensions on the pressure, flow rate, load capacity, shear stress, power consumption and stiffness.

The theoretical results show an increase in load capacity by (8.3%) in the presence of solid graphite particles with concentration of (16%) by weight as compared with pure oil, with increasing shear stress.  .

In general the performance of hydrostatic thrust bearings improve for load carrying capacity, volume flow rate,

... Show More
View Publication Preview PDF
Publication Date
Sat Oct 28 2023
Journal Name
Baghdad Science Journal
Quantum Theory of Atom in Molecules Investigation Trinuclear Ruthenium: DFT Approach
...Show More Authors

The topological indices of the "[(µ3-2, 5-dioxyocyclohexylidene)-bis ((2-hydrido)-nonacarbonyltriruthenium]” were studied within the quantum theory of atoms in the molecule (QTAIM), clusters are
analyzed using the density functional theory (DFT). The estimated topological variables accord with prior
descriptions of comparable transition metal complexes. The Quantum Theory of Atom, in molecules
investigation of the bridging core component, Ru3H2, revealed critical binding points (chemical bonding)
between Ru (1) and Ru (2) and Ru (3). Consequently, delocalization index for this non-bonding interaction
was calculated in the core of Ru3H2, the interaction is of the (5centre–5electron) class.

View Publication Preview PDF
Scopus Crossref
Publication Date
Thu Jan 01 2026
Journal Name
Journal Of Materials Chemistry C
Hydrothermal synthesis and comprehensive DFT evaluation of Ba2PrMnO6 double perovskite nanocrystals for next-generation spintronic and optoelectronic technologies
...Show More Authors

Amid the growing demand for multifunctional and environmentally benign materials, lead-free double perovskites have emerged as a strategically important development in advanced functional materials research. This study presents the synthesis of Ba2PrMnO6 (BPMO) double perovskite nanocrystals for the first time via a hydrothermal method, and a comprehensive evaluation has been conducted using the density functional theory (DFT) framework. Structural, thermodynamic, electronic, optical, and mechanical properties were investigated through X-ray diffraction (XRD), ultraviolet-visible (UV-vis) spectroscopy, FESEM/EDX, FTIR, and density functional theory (DFT) calculations. XRD confirms a stable tetragonal I4/m phase with experimental lattice con

... Show More
View Publication
Scopus (1)
Scopus
Publication Date
Mon Jan 01 2018
Journal Name
Aip Conference Proceedings
Study optoelectronic properties for polymer composite thick film
...Show More Authors

View Publication
Scopus (9)
Crossref (4)
Scopus Clarivate Crossref
Publication Date
Thu Jun 30 2011
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
CORRELATION FOR SOLUTION GAS -OIL RATIO OF IRAQI OILS AT PRESSURES BELOW THE BUBBLE POINT PRESSURE
...Show More Authors

The solution gas-oil ratio is an important measurement in reservoir engineering calculations. The correlations are used when experimental PVT data from particular field are missing. Additional advantages of the correlations are saving of cost and time.
This paper proposes a correlation to calculate the solution gas -oil ratio at pressures below bubble point pressure. It was obtained by multiple linear regression analysis of PVT data collected from many Iraqi fields.
In this study, the solution gas-oil ratio was taken as a function of bubble point pressure, stock tank oil gravity, reservoir pressure, reservoir temperature and relative gas density.
The construction of the new correlation is depending on thirty seven PVT reports th

... Show More
View Publication Preview PDF
Publication Date
Sat Jan 01 2022
Journal Name
Rsc Advances
Antioxidant properties of butylated phenol with oxadiazole and hydrazone moiety at <i>ortho</i> position supported by DFT study
...Show More Authors

Two series of 1,3,4-oxadiazole derivatives at the sixth position of the 2,4-di-tert-butylphenol group were synthesized.

View Publication Preview PDF
Scopus (16)
Crossref (14)
Scopus Clarivate Crossref