Materials Literature
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Thermo-optical properties of composite materials consisting of noble metal nanoparticles spread in a dielectric host matrix are relevant for various fields in fundamental and applied nanosciences. We present a calculation of these properties in the framework of the Maxwell-Garnett effective medium model, exemplified b…
Nanopowdered solid solution Ce1-xY(Nd)(x)O2-delta samples ( 0.1 LT = x LT = 0.25) were made by self-propagating room temperature (SPRT) synthesis. The first-order Raman spectra of Ce1-xY(Nd)(x)O2-delta samples measured at room temperature exhibit three broad features: the main Raman active F-2g mode at about 450 cm(-1…
Two different sets of approaches for the density-functional calculation of the spin-orbit contributions to zero-field splitting (ZFS) parameters of high-spin systems have been implemented within the same quantum chemistry code ReSpect and have been validated and compared for a series of model systems. The first approa…
A general nonaqueous route has been applied for the preparation of lanthanide ordered nanocrystalline hybrid structures. In a simple one-pot reaction process, Ln(III) isopropoxides (Ln = Gd, Sm, Nd) were dissolved in benzyl alcohol and reacted in an autoclave between 250 and 300 °C. This approach leads to crystalline…
We present a novel route to assemble thin films containing pH-responsive nanostructures of hydrophilic cylindrical domains oriented perpendicular to a silicon substrate. The amphiphilic block copolymer, poly(styrene- b -acrylic acid) (PS- b -PAA), is prepared from the precursor, poly(styrene- b - tert -butyl acrylate)…
Films forming solutions composed of Amaranth (Amaranthus cruentus) flour (4.0 g/100 mL), stearic acid (5-15 g/100 g of flour), and glycerol (25-35 g/100 g of flour) were prepared by an emulsification process, with varying stirring speed values (6640-13360 rpm). The influence of these parameters (stearic acid and glyce…
Using molecular dynamics simulations, we demonstrate and quantify thermophoretic motion of solid gold nanoparticles inside carbon nanotubes subject to wall temperature gradients ranging from 0.4 to 25 K/nm. For temperature gradients below 1 K/nm, we find that the particles move "on tracks" in a predictable fashion as…
Here we show that the low temperature phase of magnetite is associated with an effective, although fractional, ordering of the charge. Evidence and a quantitative evaluation of the atomic charges are achieved by using resonant x-ray diffraction (RXD) experiments whose results are further analyzed with the help of ab i…
Recent advances in nanotechnology have increased the development and production of many new nanomaterials with unique characteristics for industrial and biomedical uses. The size of these new nanoparticles (<100 nm) with their high surface area and unusual surface chemistry and reactivity poses unique problems for bio…
In-line monitoring of solid-state properties in crystallization processes is of great significance in controlling the quality of crystalline active pharmaceutical ingredients. In this work, the solvent-mediated phase transformation of anhydrous to dihydrated carbamazepine in ethanol−water mixtures was studied using an…
A new barrier-film chemistry is described in which two materials, namely a clay fabric film and a polymer, are combined to form a composite with gas-barrier properties that are far superior to those of the parent end members. Homoionic inorganic smectite clay fabric films of sodium montmorillonite and synthetic lithiu…
A new numerical method is introduced for calculating the polarizability of an arbitrary dielectric object with position dependent complex permittivity. Three separate numerical approaches are provided to calculate the dipole moment of a nanoparticle embedded in a dielectric matrix in the presence of an applied electri…
We report the magnetic and transport properties of Ga1-xMnxP synthesized via ion implantation followed by pulsed laser melting over a range of x, namely 0.018 to 0.042. Like Ga1-xMnxAs, Ga1-xMnxP displays a monotonic increase of the ferromagnetic Curie temperature with x associated with the hole-mediated ferromagnetic…
First-principles density-functional calculations have been performed for zinc monochalcogenides with zinc-blende- and wurtzite-type structures. It is shown that the local-density approximation underestimates the band gap, misplaces the energy levels of the Zn-3d states, and overestimates the crystal-field splitting en…
In this paper different deterministic and statistical models, based on new quantized theories proposed by the author, are presented to estimate the strength of a real, thus defective, space elevator cable. The cable, of ~100 megameters in length, is composed by carbon nanotubes, ~100 nanometers long: thus, its design…
Cationic poly-L-lysine 3H-dendrimers with either 16 or 32 surface amine groups (BHALys [Lys]4 [3H-Lys]8 [NH2]16 and BHALys [Lys]8 [3H-Lys]16 [NH2]32, generation 3 and 4, respectively) have been synthesized and their pharmacokinetics and biodistribution investigated after intravenous administration to rats. The species…
Magnesium nano/mesostructures with spherical, platelike, rodlike, and sea-urchin-like shapes are prepared by a simple and efficient vapor-transport method. They exhibit excellent electrochemical properties in Mg/air batteries. The figure shows discharge curves of the Mg/air batteries made from two samples, at a consta…
We study the breakdown of the Stokes-Einstein (SE) and Debye-Stokes-Einstein (DSE) relations for translational and rotational motion in a prototypical model of a network-forming liquid, the ST2 model of water. We find that the emergence of fractional SE and DSE relations at low temperature is ubiquitous in this system…
It is well known that a state of pure shear has distinct sets of basis vectors or coordinate systems: the principal axes, in which the stress is diagonal, and pure shear bases, in which diag(stress)=0. The latter is commonly taken as the definition of pure shear, although a state of pure shear is more generally define…
In response to an external, microwave-frequency magnetic field, a paramagnetic medium will absorb energy from the field that drives the magnetization dynamics. Here we describe a new process by which an external spin injection source, when combined with the microwave field spin-pumping, can drive the paramagnetic medi…