Materials Literature
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The mechanisms for HO2+NO and its reverse reactions have been investigated by ab initio molecular orbital and transition-state theory calculations. The species involved have been optimized at the B3LYP/6-311+G(3df,2p) level and their energies refined by single-point calculations with the highest scheme of the modified…
This paper describes a reliable method to selectively produce metastable α-form glycine crystals with a controlled size in batch cooling crystallization. Seeding had a large effect both on the polymorphism and the size distribution of the product crystals. In the case of sufficient seed loadings of the α -form crystal…
This study investigated the structural and electrical properties of (Ba,Sr)TiO3 (BST) thin film capacitors with thicknesses ranging from 18 to 215 nm, which were prepared by on- and off-axis rf magnetron sputtering technique on Pt/SiO2/Si substrates. The deposition rate and cation composition ratios of the films were…
A new magnetic resonance imaging (MRI) contrast agent designed to mimic sialyl Lewis X (sLeX) and to target inflammation has been synthesized and characterized. The evolution of its proton longitudinal relaxivity as a function of the magnetic field (NMRD) and temperature has been studied. The exchange rate of the wate…
This study investigates high-resolution photoinduced biphotonic holographic gratings in azo-dye-doped liquid crystal films. A biphotonic grating (BG) is formed under the illumination of one linearly polarized green light with the simultaneous irradiation of an interference pattern created by two linearly polarized red…
In this work we present the first derivation and implementation of quadratic response theory as described within the combined coupled cluster/dielectric continuum (CC/DC) and the combined coupled cluster/molecular mechanics (CC/MM) methods. In the former approach, the solvent is represented as a homogeneous dielectric…
Structural dynamics and volume were measured as a function of both temperature and pressure for a propylene glycol and its oligomers (PPG), and the results compared with previous data on higher molecular weight polypropylene glycols. PPG is of special interest because the terminal groups form hydrogen bonds; thus, by…
By performing molecular dynamics simulations we have generated several forms of high density amorphous (HDA) water (ρ⩾1.1 g/cm3), either by pressurizing cubic ice or by quenching liquid water maintained under pressure. It is shown that the temperature of amorphization is a key variable in understanding the thermodynam…
Abstract Copolymers of aniline and toluidine were synthesized by oxidative chemical polymerization using different ratios of the monomers in the feed, and characterized by a number of techniques including UV–visible, IR, Raman, 1 H NMR and EPR spectroscopies, as well as by thermogravimetric analysis and conductivity m…
We report on the characteristics of SiO2/n-GaN metal-oxide-semiconductor (MOS) structures with β-Ga2O3 interlayers. β-Ga2O3 15 nm thick was grown by dry oxidation at 800 °C for 6 h, and 100-nm-thick SiO2 was then deposited by sputtering. Capacitance–voltage measurements show a low interface trap density of ∼3.9×1010 e…
We have achieved the size separation of DNA molecules on a biochip using an anodic porous alumina as a separation matrix in electrophoresis. The bottom of the microfluid channel on the chip was made of a porous alumina membrane that has uniform nanoscale pores on its surface. Since smaller molecules are much more freq…
Zinc oxide (ZnO) thin-film waveguides with ridge structures have been fabricated on n-type (100) silicon substrates. The deposition of high-crystal-quality ZnO thin films on the lattice-mismatched silicon substrate was achieved by using the filtered cathodic vacuum arc technique. A ridge structure is defined on the Zn…
Nanohole arrays in a Si substrate with a self-ordered configuration having a 100 nm hole periodicity were fabricated by the pattern transfer of the hole configuration of anodic porous alumina. The self-ordered anodic porous alumina used as a mask was directly prepared by anodizing an aluminum film sputtered on a Si su…
The self-consistent field theory of brushes of neutral water-soluble polymers described by two-state models is formulated in terms of the effective Flory interaction parameter χeff(T,φ) that depends on both temperature, T, and the monomer volume fraction, φ. The concentration profiles, distribution of free ends and co…
The mutual diffusion coefficient Dm of dilute lysozyme solutions is measured by the dynamic light scattering technique. The relation between the osmotic second virial coefficient B22 and the protein mutual diffusion coefficient Dm of dilute solutions is examined experimentally and theoretically. The role of B22 in rel…
A newly modified sonochemical approach was demonstrated to synthesize stable Au suspensions. The formation of Au nanoparticles with diameters of ∼20 nm was accomplished through the ultrasonic irradiation of aqueous HAuCl 4 solutions containing trisodium citrate at 4 °C. The efficient generation in gold particles only…
The influence of interfacial bonding on the magnetoelectric response in multiferroic laminated composites of Tb1−xDyxFe2 (Terfenol-D) and lead–zirconate–titanate (PZT) by using the recent Green’s function technique was studied. Numerical results demonstrate that a giant magnetoelectric response is produced in the simp…
Specific heats measurements and Ru-NMR studies have been carried out for Bi3Ru3O11 and La4Ru6O19, which commonly have three-dimensional linkages of edge-sharing pairs of RuO6 octahedra. The Knight shifts, the nuclear spin-lattice relaxation rates 1/T1 and the electronic specific heats Cel of these systems exhibit anom…
We discuss the influence of a uniform current, $\vec{j} $, on the magnetization dynamics of a ferromagnetic metal. We find that the magnon energy $ε(\vec{q})$ has a current-induced contribution proportional to $\vec{q}\cdot \vec{\cal J}$, where $\vec{\cal J}$ is the spin-current, and predict that collective dynamics w…
Two-dimensional micrometer-sized single-crystalline ZnO thin nanosheets were achieved on a large scale, in which Zn thin nanosheets (precursor) were first grown via a thermal decomposition and reduction of the starting ZnS powder, and then converted to the ZnO nanosheets via a simple oxidation process. The ZnO nanoshe…