Materials Literature
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The band gap energies of micro/meso-porous zinc (hydr)oxide and its composites with 2 wt. % and 5 wt. % graphite oxides are reported using three optical characterization techniques. The obtained energy gaps (from 2.84 eV to 2.95 eV) of the composites are smaller than that for zinc oxide (∼3.2 eV) and zinc (hydr)oxide…
Based on the first principles simulations and quantum transport calculations, effects of dissimilar electrodes and interfaces on the current transport and relevant electrical properties in ZnO tunnel junctions as well as the mechanism of current asymmetric characteristic adjustment have been investigated. Our results…
Recently, a Co/BaTiO3/La0.67Sr0.33MnO3 (Co/BTO/LSMO) ferroelectric tunnel junction (FTJ) has shown the great potential towards non-volatile memory and logic applications due to its excellent performance. Especially, the giant OFF/ON tunnel resistance ratio (e.g., ∼100) assures that FTJ-based random access memory (FTRA…
When compressive strain is applied to a single-layered material, the layer generally ripples along the third dimension to release the strain energy. In contrast, such a rippling effect is not favored when it is under tensile strain. Here, using first-principles density-functional calculations, we show that molecular a…
A nonlinear model is proposed to study low-frequency magnetoelectric (ME) effects in layered magnetostrictive-piezoelectric composites, taking into account the effects of interface misfit strain and surface stress. As a specific case, L-T mode of Terfenol-D/lead zirconate titanate (PZT) composites is investigated. The…
The effects of solvent quality on the internal stratification of polymer brushes formed by dendron polymers up to third generation were studied by means of molecular dynamics simulations with Langevin thermostat. The distributions of polymer units, of the free ends, the radii of gyration, and the back folding probabil…
Kinetics of phase separation in a three-dimensional single-component Lennard-Jones fluid, that exhibits vapor-liquid transition, is studied via molecular dynamics simulations after quenching homogeneous systems, of different overall densities, inside the coexistence region. For densities close to the vapor branch of t…
Using a numerical quasi off-lattice self-consistent field method which describes heterogeneous chains of spherical monomers we study the case of a densely grafted polymer brush with a fraction of free chain ends being replaced by a modified end-group differing in size and solvent selectivity. We can confirm the observ…
Numerous neutron scattering studies of bio-molecular dynamics employ a qualitative analysis of elastic scattering data and atomic mean square displacements. We provide a new quantitative approach showing that the intensity at zero energy exchange can be a rich source of information of bio-structural fluctuations on a…
We propose a model for quantum dot light emitting devices (QD-LEDs), which explores the most important parameters that control their electrical characteristics. The device is divided into a hole transport layer, several quantum dot layers, and an electron transport layer. Conduction and recombination in the central qu…
This paper studies the electrostatic responses of a polarly radially anisotropic cylinder and a spherically radially anisotropic sphere. For both geometries, the permittivity components differ from each other in the radial and tangential directions. We show that choosing the ratio between these components in a certain…
H(IO3)2(-) and M(IO3)2(-) (M = Li, Na, K) anions were successfully produced via electrospray ionization of their corresponding bulk salt solutions, and were characterized by combining negative ion photoelectron spectroscopy and quantum chemical calculations. The experimental vertical detachment energies (VDEs) of M(IO…
Gold nanoparticles (GNPs) are widely used in biological and clinical applications due to their favorable chemical and optical properties. GNPs can be used for drug delivery to targeted cells. In addition, GNPs serve as ideal probes for biological and cell imaging applications. Recent studies indicate that the size div…
The present work describes the eco-friendly synthesis of silver nanoparticles using pod extract of Acacia nilotica . The effect of concentration and effect of pH were studied on the synthesis of silver nanoparticles (AgNPs). The formation of AgNPs was analyzed by visual observation and UV–vis spectrophotometer. Furthe…
We demonstrate that the bandwidth of pulsed electrically detected magnetic resonance can be increased to at least 80 MHz using a radio frequency-reflectometry detection scheme. Using this technique, we measure coherent spin oscillations in real time during a resonant microwave pulse. We find that the observed signal i…
We extend our previous studies on phase IV of solid hydrogen by employing larger cells and k-sampling. We show that uncorrelated hexagonal rotations in the weakly bounded G"-layers are needed to account for the experimentally measured Raman spectrum. In large simulations we find no evidence of proton diffusion or laye…
(Bi2Te3)0.2(Sb2Te3)0.8 (BST) based nanocomposites dispersed with amorphous SiO2 (a-SiO2) nanoparticles (∼50 nm) were fabricated and their thermoelectric properties were investigated in the temperature range from 293 K to 490 K. The results indicate that with increasing volume fraction of a-SiO2 from f = 0 to 0.55, 1.1…
The phase diagram of a quantum paraelectric antiferromagnet EuTiO3 under an external electric field was calculated using Landau-Ginzburg-Devonshire theory. It was shown that the application of an external electric field E leads to the appearance of a ferromagnetic phase due to the magnetoelectric coupling. In particul…
Addition of alumina to sodium silicate glasses considerably improves the mechanical properties and chemical durability and changes other properties such as ionic conductivity and melt viscosity. As a result, aluminosilicate glasses find wide industrial and technological applications including the recent Corning(®) Gor…
Abstract A citric acid-assisted solid-state method is developed to prepare highly active Cu/ZnO catalysts in different atmospheres (air and argon). The entire catalyst preparation process is accomplished with inexpensive raw materials. It is environmentally friendly in that no water is used and no waste water is produ…