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U and Pu separation with U/TEVA resin: Influence of some parameters on chromatographic cycle performances
Due to unexpected Pu behavior using the U/TEVA resin and the most-recognized reagents, some key separation stages need to be studied for the U–Pu...
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Determining Computational Conditions
In the previous chapter, we first learned about a series of operations, assuming that the “specifications given to the input file” were “prepared and...
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Investigation of Pressure-Dependent Electronic and Optical Properties of Double Perovskites Cs2AgXY6 (X = Bi, In; Y = Cl, Br)
The electronic, optical and structural properties of Cs 2 AgXY 6 (X = Bi, In; Y = Cl, Br), were investigated under external pressure (0–50 GPa) using...
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Low-temperature and efficient crosslinking of lyocell knitted fabric with an eco-friendly diepoxy agent for fibrillation resistance
Lyocell fiber is a low-carbon fiber and has many remarkable characteristics, which makes it a good application prospect in the future. However,...
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Changes in Illumination Preferences for Textiles with Varying Physical Color Attributes
This study analyzed people’s preferences for different illuminants regarding textiles with a wide range of colors in terms of lightness, chroma, and...
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ELECTRONIC STRUCTURE AND CHEMICAL BOND IN 9,9,10,10-TETRAETHYNYL-9,10- DIHYDRODISILAANTHRACENE
AbstractAtomic and electronic structures of cyclic organosilicon compound 9,9,10,10-tetraethynyl-9,10-dihydrodisilaanthracene are studied by the...
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Study on the electronics and structural properties of transition metal–doped La2Mo2O9
ContextLa 2 Mo 2 O 9 is a potential electrolyte material for SOFC due to its higher oxygen conduction at high temperatures. However, La 2 Mo 2 O 9 suffers...
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Numerical simulation of free convection flow and thermal performance comparison between \(Al_2O_3/H_2O\) and \(Al_2O_3/C_2H_6O_2-H_2O\) nanofluids in a rectangular cavity
Alumina nanoparticles have been accumulating attention in recent years because of their unique physical characteristics and broad range of...
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DFT Studies of Photocatalytic Properties of Silicon- and Boron-doped Gallium-nitride Nanotubes for Hydrogen Evolution and Carbondioxide Capture
Using density functional theory, this work investigated the photocatalytic potentials of gallium nitride nanotubes (GaNNTs) under separate do** of...
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Details of CO2 electrochemical reduction reaction (CO2ERR) on Mn–MoS2 monolayer: a DFT study
Understanding the detailed mechanism of CO 2 electrochemical reduction (CO 2 ERR) on catalytic surfaces, leading to the formation of carbon one (C 1 )...
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The Beneficial Role of Silicon Alleviating Heavy Metal and Disease Resistance Stress in Crops
Silicon (Si), as a quasi-essential element, is the second richest element in the surface of earth crust and in the soil with a vital role in...
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Phenol Adsorption Performance of Nitrogen-Doped Porous Carbon Derived from Silicon Oxycarbide Ceramics
Mesoporous silicon oxycarbide (SiOC) ceramics were prepared by using the solvothermal method with vinyltriethoxysilane as precursor in...
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Mechanical, electronic, thermodynamic and vibrational properties of X2MgAl (X = Sc, Ti and Y) from first principles calculations
Due to growing interest to predict and design new potential Heusler alloys by using theoretical calculations and highly functional software, research...
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First-principles calculations of physical properties of the tungsten dichalcogenides (WSe2 and WTe2)
In this study, we present a DFT approach to the tungsten chalcogenides WSe 2 and WTe 2 physical properties by using the “WIEN2k” package. The lattice...
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The effect of modified silica nanoparticles on the polycarbonate thin-film nanocomposite membranes in a submerged membrane system for the treatment of surface-contaminated water
In this study, thin-film nanocomposite (TFN) membranes were fabricated using synthetic silica nanoparticles that had been aminated by...
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Investigating the Effect of Polyamidoamine Generation 2 (PAMAM-G2) Polymeric Nanostructures Dendrimer on the Performance of Polycarbonate Thin Film Nanocomposite Membranes for Water Treatment
Thin film nanocomposite membranes (TFN) were fabricated using poly(amidoamine) dendrimer (PAMAM) contains a radially symmetrical and hyperbranched...
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Impact of Silicon Foliar Application on the Growth and Physiological Traits of Carthamus tinctorius L. Exposed to Salt Stress
Althought safflower is a tolerant crop against many environmental stresses, but its yield and performance reduce under stress. The aim of this...
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Ab initio exploration of A2AlAgCl6 (A = Rb, Cs): unveiling potentials for UV optoelectronic applications
Context and resultsIn this study, we have explored the electronic and optical properties of A 2 AlAgCl 6 (A = Rb, Cs), revealing their potential...
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On the adsorption of arsenic on single-walled carbon nanotube and Fe-doped single-walled carbon nanotube: a quantum chemical study
Due to mounting environmental and public health concerns about the toxicity of Arsenic (As) contamination, there is a strong drive to develop...
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Structural, electronic and thermoelectric properties of monolayer TiSe2
Context and resultsIn this work the first-principles calculations of the structural, electronic and thermoelectric properties of monolayer TiSe 2 are...
