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.

General SU(2)(L) x SU(2)(R) x U(1)(EM) sigma model with external sources, dynamical breaking and spontaneous vacuum symmetry breaking

We give a general SU(2)(L) x SU(2)(R) x U(1)(EM) sigma model with external sources, dynamical breaking and spontaneous vacuum symmetry breaking, and present the general formulation of the model. It is found that sigma and pi(0) without electric charges have electromagnetic interaction effects coming front the internal structures. A general Lorentz transformation relative to external sources J(gauge) - (J(A mu) J(A mu)(kappa)) derived, using the general Lorentz transformation and the four-dimensional current of nuclear matter of the ground si ate with J(gauge) = 0, we give the four-dimensional general relations between the different currents of nuclear matter systems with J(gauge) not equal 0 and those with J(gauge) = 0. The relation of the density's coupling with external magnetic field is derived, which conforms well to dense nuclear matter in a strong magnetic field. We show different condensed effects in strong interaction about fermions and antifermions, and give the concrete scalar and pseudoscalar condensed expressions of sigma(0) and pi(0) bosons. About different dynamical breaking and spontaneous vacuum symmetry breaking, the concrete expressions of different mass spectra are obtained in field theory. This paper acquires the running spontaneous vacuum breaking value sigma'(0), and obtains the spontaneous vacuum breaking in tenus of the running sigma'(0), which make nucleon, sigma, and pi particles gain effective masses. We achieve both the effect of external sources and nonvanishing value of the condensed scalar and pseudoscalar paticles. It is deduced that the masses of nucleons, sigma and pi generally depend on different external sources.

General design of the CSR project in IMP

CSR, a new accelerator project under the construction. to upgrade the existing heavy ion cyclotron system in Lanzhou, is a double cooling-storage-ring system. It consists of a main ring and an experimental ring. The heavy ion beams from the cyclotron system will be accumulated and accelerated first in the main ring, then extracted to produce radioactive ion beams or high-Z beams, and finally to be send to the second ring for internal-target experiments.

ZnO clusters encapsulated inside micropores of zeolites studied by UV Raman and laser-induced luminescence spectroscopies

Using microporous zeolites as host, sub-nanometric ZnO clusters were prepared in the micropores of the host by the incipient wetness impregnation method. A small amount of sub-nanometric ZnO clusters were introduced into the channels of HZSM-5 zeolite, whereas a large quantity of sub-nanometric ZnO clusters can be accommodated in the supercages of HY zeolite and no macrocrystalline ZnO exists on the extra surface of the HY material. The vibrations of the zeolite framework and ZnO were characterized by UV Raman spectroscopy. The optical properties of these ZnO clusters were studied by UV-visible absorption spectroscopy and laser-induced luminescence spectroscopy. It is found that there are strong host-guest interactions between the framework oxygen atoms of zeolite and ZnO clusters influencing the motions of the framework oxygen atoms. The interaction may be the reason why ZnO clusters are stabilized in the pores of zeolites. Different from bulk ZnO materials, these sub-nanometric ZnO clusters exhibit their absorption onset below 265 nm and show a purple luminescence band (centered at 410-445 nm) that possesses high quantum efficiency and quantum size effect. This purple luminescence band most likely originates from the coordinatively unsaturated Zn sites in sub-nanometric ZnO clusters. On the other hand, the differences in the pore structure between HZSM-5 and HY zeolites cause the absorption edge and the purple luminescence band of ZnO clusters in ZnO/HZSM-5 show a red shift in comparison with those of ZnO clusters in ZnO/HY.

Multiphoton ionization of pyrrole-water mixed clusters

Multiphoton ionization of the hydrogen,bonded pyrrole-water clusters (C4H5N)(n)(H2O)(m) is studied with a reflectron-time of flight mass spectrometer at 355 mn. With increasing partial concentration of pyrrole in a gas mixture source, a series of poly-pyrrole-water binary-mixed cluster ions can be observed, including unprotonated cluster ions [(C4H5N)(x)(H2O)(y)](+), protonated cluster ions [(C4H5N)(x)(H2O)(y)](+) and dehydrogenated cluster ions [(C4H4N)(C4H5N)(x)(H2O)(y)](+). Ab initio calculations of their structures, bond strengths, charge distributions and reaction energies are carried out. Stable structures of these clusters are obtained from the calculations. A probable formation mechanism of the cluster ions [(C4H5N)(x)(H2O)(y)](+), [(C4H5N)(x)(H2O)(y)]H+ and [(C4H4N)(C4H5N)(x) (H2O)(y)](+) is supposed to be the ionization of clusters followed by dissociation.

Multiphoton ionization and ab initio calculation studies of pyridine-water mixed clusters using time of flight mass spectrometer

Multiphoton ionization of binary mixed clusters (C5H5N)(x)-(H2O)(y) at 532, 355 and 266 nm laser wavelengths has been investigated using TOF mass spectrometer. The experiments showed that almost all the products were protonated ions, At 532 and 355 nm, the products were mainly protonated pyridine clusters (C5H5N)(n)-H+, while at 266 nm, mixed binary cluster ions (C5H5N)(m)- (H2O)(n)-H+ appeared. It was found that the abundance of the [(C5H5N)(3)-H2O-H](+) ions was abnormally high. The calculation indicated that the ion [(C5H5N)(3)-H2O-H](+) is Of a kind of magic number structures with C-3v symmetry. A stepwise reaction mechanism is suggested that photoionization is followed by dissociation. (C) 2001 Elsevier Science B.V. All rights reserved.

DECODE: a new method for discovering clusters of different densities in spatial data

National Key Basic Research and Development Program of China [2006CB701305]; State Key Laboratory of Resource and Environment Information System [088RA400SA]; Chinese Academy of Sciences

A general method for the rapid synthesis of hollow metallic or bimetallic nanoelectrocatalysts with urchinlike morphology

We have reported a facile and general method for the rapid synthesis of hollow nanostructures with urchinlike morphology. In-situ produced Ag nanoparticles can be used as sacrificial templates to rapidly synthesize diverse hollow urchinlike metallic or bimetallic (such as Au/Pt) nanostructures. It has been found that heating the solution at 100 degrees C during the galvanic replacement is very necessary for obtaining urchinlike nanostructures. Through changing the molar ratios of Ag to Pt, the wall thickness of hollow nanospheres can be easily controlled; through changing the diameter of Ag nanoparticles, the size of cavity of hollow nanospheres can be facilely controlled; through changing the morphologies of Ag nanostructures from nanoparticle to nanowire, hollow Pt nanotubes can be easily designed. This one-pot approach can be extended to synthesize other hollow nanospheres such as Pd, Pd/Pt, Au/Pd, and Au/Pt. The features of this technique are that it is facile, quick, economical, and versatile.

Strengthening carbon deposition of polyolefin using combined catalyst as a general method for improving fire retardancy

Combination of Ni2O3 and solid acid with Bronsted acid sites and Lewis acid sites (such as HZSM-5 and H-beta) could dramatically improve fire retardancy of polyolefin, including polypropylene and linear low-density polyethylene. This is mainly attributed to the formation of a large amount of residual char from degradation products of polyolefin in the intermediate stage of combustion. Thus, the amount of flammable components diffusing into the flame zone was small.