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Structure of Aqueous CaCl2 Solutions by X-ray Scattering and Density Functional Theory
AbstractWe report a structure analysis of aqueous calcium chloride solutions as a function of concentration at 298 ± 0.5 K by X-ray scattering. The...
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Structure of Ternary Nitrate Molten Salt (Hitec) by X-ray Scattering and Density Functional Theory
AbstractStructure of ternary nitrate molten salt (Hitec, 53% KNO 3 –7% NaNO 3 –40% NaNO 2 ) at different temperatures were studied with X-ray scattering...
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Structure of Aqueous Cs2CO3 Solution by X-ray Scattering
AbstractThe micro-structure parameters of Cs 2 CO 3 solution (salt/water molar ratios are 1 : 15, 1 : 35, 1 : 50) at 323, 298, 273, and 248 K were...
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Methods of determining the degree of crystallinity of polymers with X-ray diffraction: a review
In this study, the methods developed to determine the degree of crystallinity of polymers by X-ray diffraction (XRD) until the date which this study...
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X-Ray Diffraction Data on the Structure of the Nearest Environment of Ions in Aqueous Solutions of Calcium Nitrate
AbstractIon coordination is determined by the X-ray diffraction analysis in aqueous solutions of calcium nitrate in a wide concentration range. In...
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Electronic Structure and Energetics of Fullerites, Fullerides, and Fullerene Polymers
Cohesive mechanisms and electronic properties of C60 fullerites, various C60 compounds including superconducting alkali fullerides and alkaline-earth...
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Grain radial growth of LiNi0.5Mn1.5O4 cathode material for high-performance lithium-ion transport
In order to improve the diffusion kinetics of lithium ions in polycrystalline LNMO cathode materials, LNMO cathode materials with grain radial growth...
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A strong, biodegradable, brush written all-wood-based flexible electronic device
Disposable consumer electronics become electronic waste at the end of their life, which can cause serious environmental pollution if discarded in the...
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Formation of Ir–MgO Solid Solutions Analyzed with X-ray Absorption Spectroscopy
Thermal treatment of MgO-loaded Ir nanoparticles or Ir(OAc) 3 formed Ir–MgO solid solutions. The valence of Ir in the Ir–MgO solid solution was 3 +,...
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Experimental and Theoretical Studies of ZnO Nanotubes: an Approach to Chemical Physics Characterization of ZnONTs, Including Morphology, Piezoelectric, and Density of States
AbstractAn experimental and theoretical study of the growth of hexagonal ZnO nanotube arrays using a sol gel method and also quantume mechanics and...
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Ab initio investigation of the geometrical behavior in solution and electronic structure of the anion complexes [bis(1,3-dithiole-2-thione-4,5-dithiolate)M], for M = Bi(III), Sb(III), and Zn(II)
Context1,3-Dithiole-2-thione-4,5-dithiolate (dmit) ligands are known for their conductive and optical properties. Dmit compounds have been assessed...
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Machine-learning-assisted design of a binary descriptor to decipher electronic and structural effects on sulfur reduction kinetics
The catalytic conversion of lithium polysulfides is a promising way to inhibit the shuttling effect in Li–S batteries. However, the mechanism of such...
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Kinetic simulation study of femtosecond laser processing of graphene oxide: first-principles
ContextOrganic–inorganic nanoparticles have received extensive attention in various fields due to their unique physicochemical properties and...
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Information theoretical statistical discrimination measures for electronic densities
Information theoretical measures are examined as methodologies for optimizing linear and non-linear parameters to obtain the best densities for...
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Nanoscale Lattice Fluctuations in Cuprates and Manganites
Local lattice displacements giving a nanoscale inhomogeneous pattern due to mesoscopic phase separation in the correlated transition metal...
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Improved Ga-doped Li7La3Zr2O12 garnet-type solid electrolytes for solid-state Li-ion batteries
Li 7 La 3 Zr 2 O 12 (LLZO) is one of the most competent candidates as a solid electrolyte for next-generation Li-ion batteries. Although the stabilization...
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Strain enhances the activity of molecular electrocatalysts via carbon nanotube supports
Support-induced strain engineering is useful for modulating the properties of two-dimensional materials. However, controlling strain of planar...
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Simulating the Physics of Oleogels: Mathematical Models and Monte Carlo Computer Simulation
This chapter is divided into four parts: (1) General considerations of statistical mechanics and thermodynamics; (2) Introductory electrostatics; (3)...
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Effect of Slurry Solid phase Content on the Process and Properties of Gel Injection Moulding Ti10Mo28Nb3Zr Alloy
AbstractIn order to solve the problems of high elastic modulus and biotoxicity of human bone implants, Ti10Mo28Nb3Zr, a component with low elastic...
