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Structural, electronic and thermodynamic properties of bulk and surfaces of terbium dioxide (TbO<sub>2</sub>)
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This contribution reports a comprehensive investigation into the structural, electronic and thermal properties of bulk and surface terbium dioxide (TbO2); a material that enjoys wide spectra of catalytic and optical applications. Our calculated lattice dimension of 5.36 Å agrees well with the corresponding experimental value at 5.22 Å. Density of states configuration of the bulk structure exhibits a semiconducting nature. Thermo-mechanical properties of bulk TbO2 were obtained based on the quasi-harmonic approximation formalism. Heat capacities, thermal expansions and bulk modulus of the bulk TbO2 were obtained under a wide range of temperatures and pressures. The dependency of these properties on operational pressure is very evident. Cleaving bulk terbium dioxide affords six distinct terminations. Bader's charge distribution analysis for the bulk and the surfaces portrays an ionic character for Tb-O bonds. In an analogy to the well-established finding pertinent to stoichiometric CeO2 surfaces, the (111):Tb surface appears to be the thermodynamically most stable configuration in the nearness of the lean-limit of the oxygen chemical potential. For the corresponding non-stoichiometric structures, we find that, the (111):O + 1VO surface is the most stable configuration across all values of accessible oxygen chemical potentials. The presence of an oxygen vacant site in this surface is expected to enable potent catalytic-assisted reactions, most notably production of hydrogen from water

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Publication Date
Sat Jan 01 2022
Journal Name
The 2nd Universitas Lampung International Conference On Science, Technology, And Environment (ulicoste) 2021
Study the effect of size variation and stability on the electronic and spectroscopic properties of BN wurtzoids- diamantane nanostructure via density functional theory
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Publication Date
Fri Feb 01 2019
Journal Name
Journal Of Physics: Conference Series
Study the Electronic Properties of Boron Nitride Diamondiod Nanostructure using Ab-initio DFT
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Publication Date
Tue Jan 01 2019
Journal Name
Journal Of Engineering And Applied Sciences
Effect Of Aluminum On The Structural, Optical, Electrical And Photovoltaic Properties Of ZnSe/n-Si Heterojunction Solar Cell
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Aluminum doped zinc selenide ZnSe/n-Si thin films of (250∓20 nm) thickness with (0.01, 0.02 and 0.03), are depositing on the two type of substrate (glass and n-Si) to manufacture (ZnSe/n-Si) solar cell through using thermal vacuum evaporation procedure. physical and optoelectronic properties were examined for the samples. X-Ray and AFM techniques are using to study the structure properties. The energy band gap of as-deposited ZnSe thin films for changed dopant ratio were ranging from (2.6-2.68 eV). The results of Hall effect show that pure and doping films were (p-type), and the concentration carriers and the carriers mobility increases with increase Al-dopant ratio. The (C-V) have shown that the heterojunction were of abrupt type. In add

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Publication Date
Fri Sep 01 2023
Journal Name
Iraqi Journal Of Physics
Influence of DC Magnetron Sputtering Power on Structural, Topography, and Gas Sensor Properties of Nb2O5/Si Thin Films.
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This study focuses on synthesizing Niobium pentoxide (Nb2O5) thin films on silicon wafers and quartz substrates using DC reactive magnetron sputtering for NO2 gas sensors. The films undergo annealing in ambient air at 800 °C for 1 hr. Various characterization techniques, including X-ray diffraction (XRD), atomic force microscopy (AFM), energy-dispersive X-ray spectroscopy (EDS), Hall effect measurements, and sensitivity measurements, are employed to evaluate the structural, morphological, electrical, and sensing properties of the Nb2O5 thin films. XRD analysis confirms the polycrystalline nature and hexagonal crystal structure of Nb2O5. The optical band gap values of the Nb2O5 thin films demonstrate a decrease from 4.74 to 3.73 eV

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Publication Date
Sat Jul 01 2023
Journal Name
Journal Of Materials Science: Materials In Electronics
Effect of phosphoric acid chemical etching on morphological, structural, electrical, and optical properties of porous GaAs Schottky diodes
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Publication Date
Fri Sep 01 2023
Journal Name
Iraqi Journal Of Physics
Influence of DC Magnetron Sputtering Power on Structural, Topography, and Gas Sensor Properties of Nb2O5/Si Thin Films.
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This study focuses on synthesizing Niobium pentoxide (Nb2O5) thin films on silicon wafers and quartz substrates using DC reactive magnetron sputtering for NO2 gas sensors. The films undergo annealing in ambient air at 800 °C for 1 hr. Various characterization techniques, including X-ray diffraction (XRD), atomic force microscopy (AFM), energy-dispersive X-ray spectroscopy (EDS), Hall effect measurements, and sensitivity measurements, are employed to evaluate the structural, morphological, electrical, and sensing properties of the Nb2O5 thin films. XRD analysis confirms the polycrystalline nature and hexagonal crystal structure of Nb2O5. The optical band gap val

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Publication Date
Wed Dec 14 2016
Journal Name
Journal Of Baghdad College Of Dentistry
Effect of Disinfection on Some Properties of Heat-Vulcanized Maxillofacial Silicone Elastomer Reinforced by Nano Silicone Dioxide
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Background: The daily cleaning routine of the silicone maxillofacial prostheses by the patient may cause some alteration in the materials properties. The purpose of the present study was to investigate the effect of different disinfection procedures on some properties of silicon dioxide reinforced Cosmesil M511 HTV maxillofacial silicone. Materials and Methods: One hundred and sixty (160) specimens were prepared by mixing 5% SiO2 nano particles and 0.5% intrinsic cream color into the silicone polymer according to manufacturer's instructions. Specimens were divided into 4 groups according to the performed test (tear strength, surface hardness, surface roughness and color) with 40 specimens each. Each group was further subdivided according to

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Publication Date
Sat Jan 01 2022
Journal Name
Journal Of The Asabe
Effects of Pressure and Moisture Content on Bulk Density of Triticale Grain under Compaction
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Highlights

Compaction of triticale grain with three moisture contents (8%, 12%, and 16% wet basis) was measured at five applied pressures (0, 7, 14, 34, and 55 kPa).

Bulk density increased with increasing pressure for all moisture contents and was significantly (p &lt; 0.0001) dependent on both moisture content and applied pressure.

A Verhulst logistic equation was found to model the changes in bulk density of triticale grain with R2 of 0.986.

The model showed similar beha

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Publication Date
Wed Feb 01 2012
Journal Name
International Review Of Physics (e-journal) (irephy)
Some structural properties studying of porous silicon preparing by photochemical etching
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Publication Date
Tue Jan 01 2019
Journal Name
Biochem. Cell. Arch.
External morphology study of female genus Hauptidia Dworaowska, 1970 of sub-family typhlocybinae Kirschbaum, 1868, order hemiptera collected from Al-Kafal area in Babylon, Iraq
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