Search Results - "Elhadi, Muawya"
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Synthesis of ZnO and PEG-ZnO nanoparticles (NPs) with controlled size for biological evaluation
Published in RSC advances (10-01-2024)“…The objective of this research was to produce the smallest possible ZnO nanoparticles through an adapted wet chemical process and subsequently, to fabricate a…”
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Exploring the properties of quaternary X2NaTlF6 (X = Cs, Rb) halide double perovskite materials for energy conversion, harvesting, and storage using density functional theory
Published in Optical and quantum electronics (2024)“…Double perovskites (DPs) have attracted considerable attention for their potential in optoelectronic and thermoelectric applications. In this study, we utilize…”
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3
The Improvement in Ordered Phase Transformation Temperature of Cu75Fe05Pd20 Alloy for Advanced Engineering Applications
Published in Physics of the solid state (2023)“…Cu–Fe–Pd alloys have great versatility and the promise of extensive applications across numerous fields of industry and have become a focal point of scientific…”
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4
Numerical simulation studies of the new quaternary MAX phase as future engineering applications: The case study of the Nb2ScAC2 (A = Al, Si) compounds
Published in Scientific reports (22-12-2023)“…Recently, MAX phases have attained considerable technological interest owing to their two inherent properties metallic and ceramic properties. This study…”
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5
DABCO-PEG ionic liquid catalyzed synthesis, single-crystal structure, and antioxidant activity of a flavanone derivative
Published in AIP advances (01-02-2024)“…Globally, the occurrence of skin cancers has been increasing day by day due to unprotected skin and exposure to UV radiation. This research is focused toward…”
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6
First-principle Insight into Structural, Electronic, Optical and Elastic Properties of AgXF3 (Cr, Zr) Halide Perovskite Materials for Application of Reflective Coating
Published in Journal of inorganic and organometallic polymers and materials (2024)“…A new group of halides AgXF 3 (X = Cr, Zr) compounds having perovskite structures were studied via the first principle approach supported on DFT, coded within…”
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Investigating the structural, elastic, and optoelectronic properties of LiXF3 (X = Cd, Hg) using the DFT approach for high-energy applications
Published in Optical and quantum electronics (01-02-2024)“…Fluoroperovskites, a subgroup of perovskite materials, have gained substantial scientific interest due to their outstanding optoelectronic properties and…”
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2‐Chloro‐5‐(1‐hydroxy‐3‐oxoisoindolin‐1‐yl)benzenesulfonamides as potential inhibitors of urease: Synthesis, in‐vitro and molecular modeling approach
Published in Journal of the Chinese Chemical Society (Taipei) (01-10-2022)“…The present work is focused on the identification of 2‐chloro‐5‐(1‐hydroxy‐3‐oxoisoindolin‐1‐yl) benzenesulfonamides (5a–5k) Schiff bases as potent urease…”
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Exploring Silicon-Based Ca2TiSiO6 Ordered Double Perovskite Oxides: a Comprehensive DFT Investigation of Structural, Dynamical, Mechanical Stability, and Optoelectronic Properties
Published in SILICON (2024)“…In this research, the structural properties, phonons, mechanical stability, and optoelectronic properties of silicon-based Ca 2 TiSiO 6 ordered double…”
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Acetophenone-Based 3,4-Dihydropyrimidine-2(1H)-Thione as Potential Inhibitor of Tyrosinase and Ribonucleotide Reductase: Facile Synthesis, Crystal Structure, In-Vitro and In-Silico Investigations
Published in International journal of molecular sciences (01-11-2022)“…The acetophenone-based 3,4-dihydropyrimidine-2(1H)-thione was synthesized by the reaction of 4-methylpent-3-en-2-one (1), 4-acetyl aniline (2) and potassium…”
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11
Revealing the Structural, Elastic, Electronic, and Optical Properties of K2ScCuCl6 and K2YCuCl6: An In-Depth Exploration Using Density Functional Theory
Published in ACS omega (09-04-2024)“…The optoelectronic, structural, and elastic properties of K2ScCuCl6 and K2YCuCl6 double perovskite compounds were thoroughly investigated in this study using…”
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12
Revealing the remarkable structural, electronic, elastic, and optical properties of Zn-based fluoropervskite ZnXF3 (x = Sr, Ba) employing DFT
Published in Indian journal of physics (2024)“…Materials with versatile physical properties are essential for contemporary physical society, especially in electronics, renewable energy, transportation,…”
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Computational Analysis of Structural, Elastic, and Optoelectronic Properties of Silicon-Based XSiO3 (X = Sc and Y) Oxide Perovskite Compounds Employing the Density Functional Theory Approach
Published in SILICON (2024)“…Our investigation centered on a comprehensive examination of the physical properties exhibited by XSiO 3 (X = Sc, Y). Utilizing the WIEN2k code for simulation…”
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14
Investigating the Antibacterial and Anti-inflammatory Potential of Polyol-Synthesized Silver Nanoparticles
Published in ACS omega (19-03-2024)“…Silver nanoparticles (Ag-NPs) were synthesized by using the polyol method. The structural and morphological characteristics of Ag-NPs were studied by using…”
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15
Tailoring the structural, elastic, electronic, and optical properties of Cs2ScCuX6 (X = Cl and F) double perovskite compounds via density functional theory (DFT)
Published in The Journal of physics and chemistry of solids (01-05-2024)“…Double perovskite (DP) structures have attracted considerable interest because of their possible utilization in optoelectronic and thermoelectric equipment…”
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The Improvement in Ordered Phase Transformation Temperature of Cu.sub.75Fe.sub.05Pd.sub.20 Alloy for Advanced Engineering Applications
Published in Physics of the solid state (01-01-2023)“…Cu-Fe-Pd alloys have great versatility and the promise of extensive applications across numerous fields of industry and have become a focal point of scientific…”
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17
Investigation of size-dependent electrical, dielectric, and magnetic properties of iron oxide nanostructures
Published in Materials chemistry and physics (01-03-2024)“…In this article we report magnetite (Fe3O4) nanoparticles prepared via hydrothermal technique at different reaction time and precursor's concentration. X-ray…”
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Insight into the structural, elastic, and optoelectronic properties of XPaO3 (X = Cs, Rb) compounds employing density functional theory
Published in Physica. B, Condensed matter (01-03-2024)“…Our research aims to provide a comprehensive understanding of XPaO3 (X = Cs, Rb) compounds, employing density functional theory as a guiding tool. Through the…”
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19
Theoretical profiling of chloroperovskite compounds GaXCl3 (X = Ba, Sr) using density functional theory
Published in Physica. B, Condensed matter (15-09-2024)“…This study employs the TB-mBJ exchange potential within the WIEN2k code and DFT to comprehensively analyze GaXCl3 compounds (X = Sr, Ba). The investigation…”
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20
Insight into the structural, elastic, optoelectronic, and thermodynamic properties of GaXF3 (X = Se, Si) via density functional theory
Published in Optical and quantum electronics (26-04-2024)“…The pursuit of new materials with tailored properties is essential for advancing technology. This research focuses on GaXF 3 (X = Se, Si) fluoroperovskites,…”
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