Dynamics of Vortex-Wave under a Travelling-Wave Modulation

The mecha nism of destabilization is studied for the rotating vortices (scroll waves and spiral waves) in excitable media induced by a parameter modulation in the form of a travelling-wave. It is found that a rigid rotating spiral in the two-dimensional (2D) system undergoes asynchronized drift along a straightline, and a 3D scrolling with its filament closed into a circle can be reoriented only if the direction of wavenumber of a travelling-wave perturbation is parallel to the ring plane. Then, in order to describe the behaviour of the synchronized drift of spiral wave and the reorientation of scrollring, the approximate formulas are given to exhibit qualitative agreements with the observed results.

Optical absorption spectra of Na-5, Na-6 and Na-7 clusters: a theoretical study

In the frame of time-dependent density functional theory, the: dynamical polarizabilities of Na-5, Na-6 and Na-7 clusters are calculated using a time-dependent local density approximation. By using Fourier transformation, the optical absorption spectra of Na-5, Na-6 and Na-7 clusters are obtained from their dynamical polarizabilities. It is shown that experimentally measured optical absorption spectra of Na-5, Na-6 and Na-7 clusters are reproduced in our calculations. Furthermore, the calculations of Na-6 and Na-7 clusters are in good agreement with the results of configuration interaction method. Compared with the three-dimensional structure of Na-6, the calculated optical absorption spectra of Na-6 with the two-dimensional structure are more close to the experimental data.

Dendrimers as "controllers" for modulation of electrodeposited silver nanostructures

Electrodeposition of silver nanostructures on a polyamidoamine (PAMAM) dendrimers-modified surface has been reported. The assembled PAMAM monolayer film was used as a substrate for electrodeposition. We found that the PAMAM dendrimers obviously affected nucleation growth and silver nanostructures (spherical, dendritic and "fish bone" shapes) were obtained, which were different from those deposited on unmodified surfaces. It was attributed to the unique structures and properties of PAMAM dendrimers compared with linear polymers.

The Reasons for Ligand-Dependent Quantum Yields and Absorption Spectrum of Four Polypyridylruthenium(II) Complexes with a Tetrazolate-Based Ligand: TDDFT Study

The quantum yield, lifetime, and absorption spectrum of four [Ru(bpy)(2)L](+) [where bpy is 2,2'-bipyridyl; L is represented by the deprotonated form of 2-(1H-tetrazol-5-yl)pyridine (L1) or 2-(1H-tetrazol-5-yl)pyrazine (L2)], as well as their methylated complexes [Ru(bpy)(2)LMe](2+) (RuL1Me and RuL2Me) are closely ligand dependent. In this paper, density functional theory (DFT) and time-dependent DFT (TDDFT) were performed to compare the above properties among these complexes. The calculated results reveal that the replacement of pyridine by pyrazine or the attachment of a CH3 group to the tetrazolate ring greatly increases the pi-accepting ability of the ancillary ligands.

Injection, Transport, Absorption and Phosphorescence Properties of a Series of Blue-Emitting Ir(III) Emitters in OLEDs: a DFT and Time-Dependent DFT Study

Quantum-chemistry methods were explored to investigate the electronic structures, injection and transport properties, absorption and phosphorescence mechanism of a series of blue-emitting Ir(III) complexes {[(F-2-ppy)(2)Ir(pta -X/pyN4)], where F-2-ppy = (2,4-difluoro)phenylpyridine; pta = pyridine-1,2,4-triazole; X = phenyl(1); p-tolyl (2); 2,6-difluororophenyl (3); -CF3 (4), and pyN4 = pyridine-1,2,4-tetrazolate (5)}, which are used as emitters in organic light-emitting diodes (OLEDs). The mobility of hole and electron were studied computationally based on the Marcus theory. Calculations of Ionization potentials (IPs) and electron affinities (EAs) were used to evaluate the injection abilities of holes and electrons into these complexes.

Counterion exchange at the surface of polyelectrolyte multilayer film for wettability modulation

Counterions present at the surface of polyelectrolyte multilayers (PEMs) were utilized for modulation of surface wettability via ion exchange. The PEM film was dipped in aqueous solutions of different anions, respectively, and the water contact angle of the surface varied from about 10 degrees to 120 degrees, depending on the hydration characteristics of the anion. The ion exchange mechanism was verified by X-ray photoelectron spectroscopy. The process was rapid and reversible. Ionic strength of the polyelectrolyte solution used for preparing the PEMs was found to be crucial to the surface wetting properties and the reversibility and kinetics of the process, and the effects were correlated to the surface density of the excess charge and counterion. This work provides a general, facile and rapid approach of surface property modulation.

Research on various factors influencing the moisture absorption property of sodium polyacrylate

Sodium polyacrylate was synthesized with acrylic acid as the monomer, and sodium bisulfate and ammonium persulfate as the initiator, by means of aqueous solution polymerization. The factors influencing the properties of moisture absorption, such as monomer concentration, dosage of initiator, and reaction temperature were systematically investigated. The experimental results indicate that the moisture-absorbing property of this polymer was better than other traditional material, such as silica gel, and molecular sieve. The best reaction condition and formula are based on the orthogonal experiment design. The optimum moisture absorbency of sodium polyacrylate reaches 1.01 g/g. The mathematical correlation of this polymer with various factors and moisture absorbency is obtained based on the multiple regression analysis. The moisture content intuitive analysis table shows that neutralization degree has the most significant influence on moisture absorbency, followed by monomer concentration and reaction temperature, while other factors have less influence.