Materials Literature
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Voronoi polyhedra (VP) analysis of mixtures of acetone and methanol is reported on the basis of molecular dynamics computer simulations, performed at 300 K and 1 bar. The composition of the systems investigated covers the entire range from neat acetone to neat methanol. Distribution of the volume, reciprocal volume an…
Pure δ-BiB3O6, which is the polymorph of the most promising nonlinear optical (NLO) crystal α-BiB3O6 (BIBO), was first synthesized at high pressure/high temperature. δ-BiB3O6 possesses a non-centrosymmetric structure and moreover, its three-dimensional (3D) structure rather than 2D in BIBO suggests a high possibility…
Multiwalled carbon nanotubes (MWCNTs) with unique chemical and electromechanical properties are ideal candidates for the development of drug delivery platforms. The scarce knowledge for the effects of exposure to MWCNTs during pregnancy on postnatal outcomes motivated us to investigate whether intraperitoneal injectio…
We present a microscopic theory that describes the ordering of two distinct ligands on the surface of a facetted nanoparticle. The theory predicts that when one type of ligand is significantly bulkier than all others, the larger ligands preferentially align themselves along the edges and vertices of the nanoparticle.…
An Al-doped ZnO (AZO)/F-doped SnO2 (FTO) film structure in an amorphous silicon solar cell (a-Si:H) was studied under exposure to hydrogen (H) plasma treatment via a simple spray pyrolysis. A radio-frequency magnetron sputtering method was used to deposit the FTO film first and the subsequent AZO overlayer on top of t…
We report the theory and synthesis of sub-nanosized gold clusters on reduced graphene oxide (r-GOs). The Au sub-nanoclusters were found to be nucleated and grown at defects of the r-GOs, particularly on nitrogen-induced defects from density functional theory investigation. The resulting Au/r-GOs exhibit an improvement…
This paper reported three kinds of polysiloxane benzophenone photoinitiators (HBP-Si-A/B/C) with different silicon contents, which were synthesized based on traditional photoinitiator 4-hydroxy benzophenone (HBP) and epoxy polysiloxane. The effect of silicon content in the photoinitiator molecule on its photopolymeriz…
Thermal conductivity, diffusivity, relative permittivity, specific heat, and tensile properties of sisal/polyester composites were investigated as a function of fiber volume fraction and fiber surface modification. The composites were prepared by resin transfer molding (RTM) technique. Sisal fibers were subjected to v…
A reverse Monte Carlo (RMC) method is developed in this work to study the energy-loss process of signal electrons in surface electron spectroscopy. This method derives the effective energy-loss function (EELF) from a measured reflection electron energy loss spectroscopy (REELS) spectrum by an iterative Monte Carlo (MC…
The structural and thermodynamic phase behavior of the thermotropic liquid crystal dodecylcyanobiphenyl (12CB) confined in controlled-pore glasses (CPGs) has been studied by means of high-resolution calorimetry and small-angle X-ray scattering. Non-treated CPG matrices have been used with a characteristic pore size R…
The frequency dependent dielectric properties such as dielectric constants (ɛ/r, ɛ//r), absolute dielectric loss |tanδ|, and ac-conductivity (σac) of Cu0.5Tl0.5Ba2Ca2(Cu3-yMy)O10-δ (M = Si, Ge, Sn, y = 0, 1) superconductor have been investigated by means of capacitance (C) and conductance (G) measurements with the tes…
Specific heat spectroscopy in the frequency range from 1 Hz to 103 Hz with a sensitivity of pJ K−1 was employed to study the glass transition behavior of ultrathin poly(bisphenol A carbonate) (PBAC) films with thicknesses ranging from 192 nm down to 10 nm. The amplitude and the phase angle of the complex differential…
We report a novel method for synthesizing monodisperse mesoporous TiO(2) spheres (sizes = 0.6-3.1 μm) by hydrolysis of titanium isopropoxide (TIP) in a mixture of C(8)-C(16)n-alkylamine, water, and ethanol. The size increases with decreasing temperature, TIP concentration, and water concentration, and upon purifying T…
In this contribution we investigate trends in the defect chemistry and hydration thermodynamics of rare-earth pyrochlore structured oxides, RE(2)X(2)O(7) (RE = La-Lu and X = Ti, Sn, Zr and Ce). First principles density functional theory (DFT) calculations have been performed to elucidate trends in the general defect c…
A stepwise generation of Cu2O, Cu2O@Cu core-shell and Cu nanoparticles (NPs) inside the alumina films has been accomplished. First, CuO–Al2O3 films were prepared on glass substrates by dip-coating method using alumina sol derived from partially acetylacetonate (acac) chelated aluminium-tri-sec-butoxide doped with copp…
Ergodicity breaking and aging dynamics in a mixture of colloidal clays, Laponite (L) and Montmorillonite (MMT), were investigated. The intensity of the light scattered off L-MMT dispersions scaled with solid volume fraction (ϕ) as, I ∼ ϕα, with α = 1.49, for Laponite α = 0.95, for 2 × 10−4 < ϕ < 8 × 10−3, and it remai…
As the first step of simulation, a temperature field for solidifying cast steel and cast iron roll was created. The convection in the liquid is not comprised since in the first approximation, the convection does not influence the analyzed occurrence of the C E (columnar to equiaxed grains) transition (CET) in the roll…
In the past decade, nanostructured materials and nanoparticles have emerged as the necessary ingredients for electrooptical applications and enhancement of device performance, in particular by making use of the light management aspects of the nanomaterials. The application areas that are being transformed profoundly i…
Controlled drug delivery technology represents one of the most rapidly advancing areas of science. They offer numerous advantages compared to conventional dosage forms including improved efficacy, reduced toxicity, improved patient compliance and convenience. Over the past several decades, many delivery tools or metho…
Urchin-like ZnO microspheres were successfully prepared by thermal decomposition of hydrozincite synthesized via homogeneous precipitation of zinc nitrate and urea in the presence of a nonionic surfactant polyethylene glycol. The synthesis conditions, such as reaction temperature and time, precursor concentration, and…