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Ab initio study of structural, mechanical and electronic properties of 3d transitional metal carbide in cubic rocksalt (rs), zincblende (zb), and cesium chloride (cc) structures by using LDA and GGA Approximation
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This study rigorously investigates three 3d transition metal carbide (TMC) structures via LDA and GGA approximations. It examines cohesive energy (Ecoh), Vickers hardness (Hv), mechanical stability, and electronic properties. Notably, most 3d TMCs exhibit higher cohesive energy than nitrides, and rs-TiC demonstrates a Vickers hardness of 25.66 GPa, outperforming its nitride counterpart. The study employs theoretical calculations to expedite research, revealing mechanical stability in CrC and MnC (GGA) and CrC (LDA in cc structure), while all 3d TMCs in rs and seven in zb structures show stability. Charge transfer and bonding analysis reveal enhanced covalency along the series, influenced by the interplay between p orbitals of carbon and d orbitals of the metal. Most 3d TMCs exhibit metallic properties, excluding zb-TiC and zb-FeC in all phases. An inverse correlation between elastic constant C44 and electronic states near the Fermi level (EF) emerges, guiding applications and design. This study efficiently uncovers 3d TMC properties, offering insights for applications and design.

Publication Date
Mon Apr 04 2016
Journal Name
Iraqi Journal Of Physics
Thickness and gamma-ray effect on physical properties of CdO thin films grown by pulsed laser deposition
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Polycrystalline Cadmium Oxide (CdO) thin films were prepared using pulsed laser deposition onto glass substrates at room temperature with different thicknesses of (300, 350 and 400)nm, these films were irradiated with cesium-137(Cs-137) radiation. The thickness and irradiation effects on structural and optical properties were studied. It is observed by XRD results that films are polycrystalline before and after irradiation, with cubic structure and show preferential growth along (111) and (200) directions. The crystallite sizes increases with increasing of thickness, and decreases with gamma radiation, which are found to be within the range (23.84-4.52) nm and (41.44-4.974)nm before and after irradiation for thickness 350nm and 4

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Publication Date
Sun Feb 03 2019
Journal Name
Iraqi Journal Of Physics
Thickness and gamma-ray effect on physical properties of CdO thin films grown by pulsed laser deposition
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Polycrystalline Cadmium Oxide (CdO) thin films were prepared
using pulsed laser deposition onto glass substrates at room
temperature with different thicknesses of (300, 350 and 400)nm,
these films were irradiated with cesium-137(Cs-137) radiation. The
thickness and irradiation effects on structural and optical properties
were studied. It is observed by XRD results that films are
polycrystalline before and after irradiation, with cubic structure and
show preferential growth along (111) and (200) directions. The
crystallite sizes increases with increasing of thickness, and decreases
with gamma radiation, which are found to be within the range
(23.84-4.52) nm and (41.44-4.974)nm before and after irradiation for

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Publication Date
Tue May 02 2023
Journal Name
Journal Of Optoelectronics And Advanced Materials
Preparation of samarium doped-PMMA composite by casting method to evaluate the optical properties and potential applications
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Samarium ions (Sm +3), a rare-earth element, have a significant optical emission within the visible spectrum. PMMA samples, mixed with different ratios of SmCl3.6H2O, were prepared via the casting method. The composite was tested using UV-visible, photoluminescence and thermogravimetric analysis (TGA). The FTIR spectrometry of PMMA samples showed some changes, including variation in band intensity, location, and width. Mixed with samarium decreases the intensity of the CO and CH2 stretching bands and band position. A new band appeared corresponding to ionic bonds between samarium cations with negative branches in the polymer. These variations indicate complex links between the Sm +3 ion and oxygen in the ether group. The optical absorption

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Publication Date
Thu Sep 13 2018
Journal Name
Baghdad Science Journal
The Structure and Optical Properties of Ag doped CdO Thin Film Prepared by Pulse Laser Deposition (PLD)
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At a temperature of 300 K, a prepared thin film of Ag doped with different ratios of CdO (0.1, 0.3, 0.5) % were observed using pulse laser deposition (PLD). The laser, an Nd:YAG in ?=1064 nm, used a pulse, constant energy of 600 mJ ,with a repetition rate of 6 Hz and 400 pulses. The effect of CdO on the structural and optical properties of these films was studied. The structural tests showed that these films are of a polycrystalline structure with a preferred orientation in the (002) direction for Ag. The grain size is positively correlated with the concentration of CdO. The optical properties of the Ag :CdO thin film we observed included transmittance, absorption coefficient, and the energy gap in the wavelength range of 300-1100

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Publication Date
Sat Jun 01 2013
Journal Name
Int. J. Nanoelectronics And Materials
Comparsion of the physical properties for CdS and CdS doped PVA thin films prepared by spray pyrolysis
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Publication Date
Sun May 28 2023
Journal Name
Journal Of Inorganic And Organometallic Polymers And Materials
Improving the Dielectric, Thermal, and Electrical Properties of Poly (Methyl Methacrylate)/Hydroxyapatite Blends by Incorporating Graphene Nanoplatelets
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In this article, the casting method was used to prepare poly(methyl methacrylate)/hydroxyapatite (PMMA/HA) nanocomposite films incorporated with different contents (0.5, 1, and 1.5 wt%) of graphene nanoplatelets (Gnp). The chemical properties and surface morphology of the PMMA/HA blend and PMMA/HA/Gnp nanocomposite were characterized using FTIR, and SEM analysis. Besides, the thermal conductivity, dielectric and electrical properties at (1–107 Hz) of the PMMA/HA blend and PMMA/HA/Gnp composites were investigated. The structural analysis showed that the synthesized composites had a low agglomerated state, with multiple wrinkles of graphene flakes in the PMMA/HA blend. The thermal conductivity was improved by more than 35-fold its value for

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Publication Date
Mon Sep 18 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Light Induced Hydrogen Production From Ethanolic Aqueous Solutions Sensitizzed By 2,4-Dimetboxy Benzylidene-2- Hydroxy Aniline And Some of Its Metal Complexes
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Hydrogen   productions  were  achieved    by  irradiating  ethanol ic aqueous solutions (20%. v/v) containing  mixtures of  the  ligand  2,4- dimethoxybcnzylidene-2-hydroxy    aniline     (HL)     or    one    of     i ts complexes  (ML2)   wi th  the  following  divalent  ions:  fVbl  (II),  Fc(IT), Co(II). Ni( rt ), Cu(H) and  Zn (11), as photosensi1izers, methyl  viol ogen (MY.:-)    as   electron   acceptor.  ethylene    diamine &nbsp

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Publication Date
Sun Feb 20 2022
Journal Name
Egyptian Journal Of Chemistry
Simulation of the remediation of groundwater contaminated with ciprofloxacin using grafted concrete demolition wastes by ATPES as reactive material: Batch and modeling study
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Publication Date
Mon Aug 14 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Effect OF Film Thickness And Annealing Time on Structural And Optical Propertieis Of The Oxides (Fe2030, Co304) And Their Mixtures
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Thin film technology is one of the most important technologies
that have contributed to the development of semiconductors and their
applications in several industrial fields. The Iron Oxides (Fe20) and
(Co3O4) thin films and their applications are of importance, in that these
two materials are considered as important industrial materials, and used
in spectrally selective coating, temperature sensors, resistive heaters, and
photo cells.
Thin films of Iron Oxide (Fe20,), Cobalt Oxide (Co304) and
their mixtures in different ratios (75:25, 50:50, 25:75) were prepared by
the method of chemical spray pyrolysis deposition at different thicknesses
(77s t S200) nm on cover-glass substrates: thickness of (1) mm at

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Publication Date
Mon Mar 01 2021
Journal Name
Journal Of Physics: Conference Series
Green synthesis of gold NPs by using dragon fruit: Toxicity and wound healing
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Abstract<p>In this work, the study of <italic>Hylocereus undatus</italic> properties was done by studying quantitative phytochemical compounds and seeking for total phenolic compounds, synthesis of gold nanoparticles was created via reduction of aqueous gold ions with the aqueous fruit extract of The <italic>Hylocereus undatus</italic> (dragon). The synthesized AuNPs were asserted by using (Uv-Vis) spectrophotometer; Fourier transforms infrared (FI-IR) spectroscopy, Atomic force microscope (AFM), Scanning Electron Microscopy (SEM) Zitasizer. The absorbance for SPR is noticed in 546 nm by using Uv-Visible spectroscopy The SEM and AFM analysis evidenced the particle size betwee</p> ... Show More
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