Preferred Language
Articles
/
mhftXI8BVTCNdQwCyXMR
Ab initio structural and vibrational properties of GaAs diamondoids and nanocrystals

Gallium arsenide diamondoids structural and vibrational properties are investigated using density functional theory at the PBE/6-31(d) level and basis including polarization functions. Variation of energy gap as these diamondoids increase in size is seen to follow confinement theory for diamondoids having nearly equiaxed dimensions. Density of energy states transforms from nearly single levels to band structure as we reach larger diamondoids. Bonds of surface hydrogen with As atoms are relatively localized and shorter than that bonded to Ga atoms. Ga-As bonds have a distribution range of values due to surface reconstruction and effect of bonding to hydrogen atoms. Experimental bulk Ga-As bond length (2.45 Å) is within this distribution range. Tetrahedral and dihedral angles approach values of bulk as we go to higher diamondoids. Optical-phonon energy of larger diamondoids stabilizes at 0.037 eV (297 cm-1) compared to experimental 0.035 eV (285.2 cm-1). Ga-As force constant reaches 1.7 mDyne/Å which is comparable to Ga-Ge force constant (1.74 mDyne/Å). Hydrogen related vibrations are nearly constant and serve as a fingerprint of GaAs diamondoids while Ga-As vibrations vary with size of diamondoids.

Scopus Clarivate Crossref
View Publication
Publication Date
Mon Apr 10 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Studying of Structural Properties of ZnxNi1-x-yCuyFe2O4 Spinel Ferrite Using XRD Powder

ZnxNi1-x-yCuyFe2O4 spinel ferrite were prepared using solid state reaction method with (y=0.1, x=0.2, 0.3, 0.4, 0.5, 0.6 ) . X-ray diffraction with diffractometer CuKα analysis have been carried out and studied showing single phase spinel cubic with space group FD͞ 3m for all prepared samples . Lattice parameters and crystallite grain size and x-ray density(ρx-ray) bulk density and porosity ratio's were calculated and showed good agreement with the international data reported in the scientific research's.

View Publication Preview PDF
Publication Date
Tue Jun 01 2021
Journal Name
Minar International Journal Of Applied Sciences And Technology
STRUCTURAL AND ELECTRICAL PROPERTIES OF (CDO)1-X (V2O5)X PREPARED BY PULSE LASER DEPOSITION TECHNIQUE FOR SOLAR CELL APPLICATIONS

In this work ,pure and doped(CdO)thin films with different concentration of V2O5x (0.0, 0.05, 0.1 ) wt.% have been prepared on glass substrate at room temperature using Pulse Laser Deposition technique(PLD).The focused Nd:YAG laser beam at 800 mJ with a frequency second radiation at 1064 nm (pulse width 9 ns) repetition frequency (6 Hz), for 500 laser pulses incident on the target surface At first ,The pellets of (CdO)1-x(V2O5)x at different V2O5 contents were sintered to a temperature of 773K for one hours.Then films of (CdO)1-x(V2O5)x have been prepared.The structure of the thin films was examined by using (XRD) analysis..Hall effect has been measured in orded to know the type of conductivity, Finally the solar cell and the effici

... Show More
Crossref
View Publication
Publication Date
Mon Mar 01 2021
Journal Name
Journal Of Physics: Conference Series
Structural, surface morphology and optical properties of annealing treated Copper Phthalocyanine doped Fullerene (CuPc: C<sub>60</sub>) thin films
Abstract<p>The doping process with materials related to carbon has become a newly emerged approach for achieving an improvement in different physical properties for the obtained doped films. Thin films of CuPc: C<sub>60</sub> with doping ratio of (100:1) were spin-coated onto pre-cleaned glass substrates at room temperature. The prepared films were annealed at different temperatures of (373, 423 and 473) K. The structural studies, using a specific diffractometry of annealed and as deposited samples showed a polymorphism structure and dominated by CuPc with preferential orientation of the plane (100) of (2θ = 7) except at temperature of 423K which indicated a small peak around (2θ = 3</p> ... Show More
Scopus (2)
Crossref (1)
Scopus Crossref
View Publication
Publication Date
Fri Sep 01 2023
Journal Name
Journal Of Optics
Structural and optical properties of C60-ZnO thin films synthesized by spray pyrolysis technique with plasma treatment as antibacterial activity

Spray pyrolysis technique was used to make Carbon60-Zinc oxide (C60-ZnO) thin films, and chemical, structural, antibacterial, and optical characterizations regarding such nanocomposite have been done prior to and following treatment. Fullerene peaks in C60-ZnO thin films are identical and appear at the same angles. Following the treatment of the plasma, the existence regarding fullerene peaks in the thin films investigated suggests that the crystallographic quality related to C60-ZnO thin films has enhanced. Following plasma treatment, field emission scanning electron microscopy (FESEM) images regarding a C60-ZnO thin film indicate that both zinc oxide and fullerene particles had shrunk in the size and have an even distribution. In addition

... Show More
Crossref (1)
Scopus Clarivate Crossref
View Publication
Publication Date
Wed Jan 19 2022
Journal Name
Iraqi Journal Of Science
Influence of reactant catalyst type and Drying Control Chemical Additives (DCCA) on optical and structural properties of silica aerogel prepared via ambient pressure drying

We have studied the synthesis environment of ambient pressure silica aerogels influence on their resulting morphological and optical properties. Transparent nanoporous silica aerogel was synthesized at ambient pressure using tetraethylorthosilicate precursor via a sol-gel process. Effect of drying control chemical additives and catalyst on physical properties was investigated. Trimethylchlorolsilane was employed as a hydrophobic reagent in the surface modification process. All aerogel samples were prepared utilizing a subcritical procedure under reactant pH fixed at 8.3, using just ammonium hydroxide or together with ammonium fluoride as catalyst. The effects catalyst types as well as drying control chemical additives on the physical pro

... Show More
View Publication Preview PDF
Publication Date
Mon Oct 23 2023
Journal Name
Journal Of Optics
Scopus Clarivate Crossref
View Publication
Publication Date
Tue May 15 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Study of the Influence of Annealing Temperature on the Structural and Optical Properties of ZnTe Prepared by Vacuum Thermal Evaporation Technique

   The ZnTe alloy was prepared as  deposited thin films on the glass substrates at a thickness of 400±20 nm using vacuum evaporation technique at pressure (1 × 10-5) mbar and room temperature. Then the thin films under vacuum (2 × 10-3 mbar) were annealing at (RT,100 and 300) °C for one hour. The structural properties were studied by using X-ray diffraction and AFM, the results show that the thin films had approached the single crystalline in the direction (111) as preferred orientation of the structure zinc-blende for cubic type, with small peaks of tellurium (Te) element for all prepared thin films. The calculated crystallite size (Cs) decreased with the increase in the anne

... Show More
Crossref (1)
Crossref
View Publication Preview PDF
Publication Date
Sun Dec 07 2008
Journal Name
Baghdad Science Journal
The effect of doping ratio of Cu on the structural properties of CdSe Films

Films of CdSe have been prepared by evaporation technique with thickness 1µm. Doping with Cu was achieved using annealing under argon atmosphere . The Structure properties of these films are investigated by X-ray diffraction analysis. The effect of Cu doping on the orientation , relative intensity, grain size and the lattice constant has been studied. The pure CdSe films have been found consist of amorphous structure with very small peak at (002) plane. The films were polycrystalline for doped CdSe with (1&2wt%) Cu contents and with lattice constant (a=3.741,c=7.096)A°, and it has better crystallinty as the Cu contents increased to (3&5wt%) Cu. The reflections from [(002), (102). (110), (112), and (201)]planes are more prominen

... Show More
Crossref
View Publication Preview PDF
Publication Date
Tue Nov 02 2021
Journal Name
Iraqi Journal Of Science
Effects of Annealing on the Structural and Optical Properties of V2O5 Thin Films Prepared by RF Sputtering for Humidity Sensor Application

     In this work, vanadium pentoxide (V2O5) thin films were prepared using rf magnetron sputtering on silicon wafer and glass substrates from V2O5 target at 200 °C substrate temperature, followed by annealing at 400 and 500 °C in air for 2 h. The prepared thin films were examined by X-ray diffraction (XRD), forier transform infra-red spectroscopy (FTIR), UV-visible absorbance, and direct current coductivity to study the effects of annealing temperature on their structural and optical properties. The XRD analysis exhibited that the annealing promoted the highly crystallized V2O5 phase that is highly orientated along the c direction. The crystalline size increased from 22.5 nm to 35.4 nm with increasing the annealing

... Show More
Scopus (2)
Crossref (1)
Scopus Crossref
View Publication Preview PDF
Publication Date
Tue Jun 01 2021
Journal Name
Iraqi Journal Of Physics
Influence of Laser Energy on the Structural and Optical Properties of (CdO):(CoO) Thin Films Produced by Laser-Induced Plasma (LIP)

In this work, (CdO)1-x (CoO)x thin films were prepared on glass slides by laser-induced plasma using Nd:YAG laser with (λ=1064 nm) and duration (9 ns) at different laser energies (200-500 mJ) with ratio (x=0.5), The influence of laser energy on structural and optical properties has been studied. XRD patterns show the films have a structure of polycrystalline wurtzite. As for AFM tests results for the topography of the surface of the film, where the results showed that the grain size and the average roughness increase with increasing laser energy. The optical properties of all films were also studied and the results showed that the absorption coefficient for within the wavelength range (280-1100 nm), The value of the optical power gap fo

... Show More
Crossref (2)
Crossref
View Publication Preview PDF