Theoretical research on the spin-Hamiltonian parameters of the square-planar CuS46− clusters in Cu(II)–dithiophosphonate complexes

The spin-Hamiltonian parameters (g-factors g_//, g_⊥ and hyperfine structure constants A_//, A_⊥) of the square-planar CuS^{6 ?}₄ clusters in Cu(II)–bis [4-ethoxphenyl-O-alkyl]-dithiophosphonate complexes are computed with the high-order perturbation formulas based on the two-mechanism model. The model includes the contributions to spin-Hamiltonian parameters from the vastly-utilised crystal-field (CF) mechanism concerning the CF excited states and the generally-omitted charge-transfer (CT) mechanism due to CT excited states. The energy levels of CF and CT excited states needed in the calculation are obtained from the observed optical spectra. The calculated results are in rational accordance with the experimental values. The signs of constants A_// and A_⊥ are suggested and the reasons of the very small g-shifts |?g_i| (= | g_i ? g_e |, where g_e ≈ 2.0023 and i = // or ⊥) are discussed.     

An Optimized Passive Shimming Method for Bi-planar Permanent MRI Magnets

An optimized passive shimming method with iron shims is presented in this paper. First, the influence value of a single iron or magnetized shim is fast calculated and determined by analytic solution with a single practical measurement. Then, the correlation between the influence value and parameters of a single shim is analyzed, and the proper parameters, including the position, polarity, and size (radius and thickness), of the shimming pieces are well selected. Finally, the numbers and locations of the passive shims are optimized by mixed-integer linear programming method based on a modified central magnetic field. The optimized method is applied to a 0.5 T Bi-planar permanent magnet magnetic resonance imaging system, and the presented results prove the efficacy of this optimized passive shimming methodology.     

Investigation on crystalline structure and dielectric relaxation behaviors of hot pressed poly(vinylidene fluoride) film

The dielectric relaxation behaviors of hot pressed poly(vinylidene fluoride) (PVDF) film have been studied using dielectric spectroscopy in the frequency domain from 20 Hz to 5 MHz at temperatures between 20 °C and 200 °C. Crystalline/amorphous interphase is suggested with methods of FTIR, XRD, and DSC. Frequency and temperature dependence of dielectric spectroscopy reveals the relaxation behavior and structural dynamics of the samples, and three types of relaxation processes are suggested, α_Ac relaxation process contributed by the hopping transport process near the periphery of conduction band or valence zones at Fermi energy, α_c relaxation process related to the structure change of crystal lattice trapped dipoles in crystalline regions, and α_a relaxation process arising from segmental dipole rearrangement of interphases in amorphous regions. Cole-Cole and Havriliak-Negami experimental equations were utilized to analyze these relaxation processes, and differences of Arrhenius parameters for α_Ac and α_c relaxation processes obtained from Cole-Cole and Havriliak-Negami equations were discussed in detail. Activity energy of different relaxation processes obtained from Arrhenius equation and VFT equation indicates non-single thermal activation mechanism for hot pressed PVDF film.     

The photocatalytic mechanism of BiOI with oxygen vacancy and iodine self-doping

The photocatalytic mechanism of BiOI with an oxygen vacancy and iodine self-doping is investigated by studying their structural, electronic and optical properties. The results of the first-principle calculations indicate that the utilization of the visible light region is broadened, and thus the photocatalytic performance is improved, via introducing an oxygen vacancy or I dopant. Among them, I-Bi doped BiOI shows the best photocatalytic performance, and it is also the preferred one of the three structures due to its better stability. The occurrence of I-Bi or I-I interactions in the original double iodine layer along with the introduction of I dopant leads to a planar localization of the photocatalytic mechanism. Then it is expected that the photo-generated carriers will transfer to the catalyst surface more easily; the photocatalytic activity of BiOI relies on the planar localization to a great degree.     

超高灵敏度太赫兹超导探测技术发展

太赫兹波段占有宇宙微波背景(CMB)辐射以后宇宙空间近一半的光子能量,该波段在天文学研究中具有不可替代的作用,因此太赫兹天文学的研究,具有极其重要的科学意义。本文系统介绍了基于超高灵敏度太赫兹超导探测技术的太赫兹相干探测器发展状况,包括超导隧道结混频器(SIS)和超导热电子混频器(HEB),以及以超导动态电感探测器(MKIDs)和超导相变边缘探测器(TES)为代表的非相干探测器的研究。在此基础上,展望了该领域未来发展趋势,对我国太赫兹天文探测技术的发展具有一定的参考意义。     

Experimental and LES investigation of premixed methane/air flame propagating in a tube with a thin obstacle

In this paper, an experimental and numerical investigation of premixed methane/air flame dynamics in a closed combustion vessel with a thin obstacle is described. In the experiment, high-speed video photography and a pressure transducer are used to study the flame shape changes and pressure dynamics. In the numerical simulation, four sub-grid scale viscosity models and three sub-grid scale combustion models are evaluated for their individual prediction compared with the experimental data. High-speed photographs show that the flame propagation process can be divided into five stages: spherical flame, finger-shaped flame, jet flame, mushroom-shaped flame and bidirectional propagation flame. Compared with the other sub-grid scale viscosity models and sub-grid scale combustion models, the dynamic Smagorinsky–Lilly model and the power-law flame wrinkling model are better able to predict the flame behaviour, respectively. Thus, coupling the dynamic Smagorinsky–Lilly model and the power-law flame wrinkling model, the numerical results demonstrate that flame shape change is a purely hydrodynamic phenomenon, and the mushroom-shaped flame and bidirectional propagation flame are the result of flame–vortex interaction. In addition, the transition from “corrugated flamelets” to “thin reaction zones” is observed in the simulation.     

Photochromism of new unsymmetrical diarylethenes with a quinoline moiety

Three unsymmetrical diarylethenes with a 6‐membered quinoline moiety were synthesized to investigate the effects of the substituents on their photochromism, and fluorescence, and the structure of one diarylethene was determined by single crystal X‐ray diffraction analysis. Quinoline was connected directly to the central perfluorocyclopentene ring as an aryl moiety and available to participate in photoisomerization reaction in solution, amorphous films, and crystalline phase. These diarylethenes exhibited good photochromism with excellent thermal stability and obvious fatigue resistance. The electron‐donating methoxy group could enhance the absorption maxima of closed‐ring isomers and the quantum yields of cyclization and cycloreversion, but the electron‐withdrawing trifluoromethyl had an opposite effect. In addition, they functioned as notable fluorescence switches in both solution and polymethylmethacrylate films, and the trifluoromethyl group and the methoxy group both increased the emission intensity. The results revealed that the quinoline moiety and substituents played a vital role in the process of photoisomerization reactions for these diarylethenes.     

Synthesis of RGO/Cu8S5/PPy Composite Nanosheets with Enhanced Peroxidase‐Like Activity for Sensitive Colorimetric Detection of H2O2 and Phenol

In this paper, a novel strategy for the fabrication of reduced graphene oxide (rGO)/Cu₈S₅/polypyrrole (PPy) composite nanosheets with Cu₈S₅ nanoparticles and PPy layer anchored on the surface of rGO as peroxidase‐like nanocatalyst is reported. During the synthesis, graphene oxide (GO)/CuO composite nanosheets are prepared first and used as templates, then the sulfuration of CuO and polymerization of pyrrole are accompanied with the reduction of GO, resulting in ternary rGO/Cu₈S₅/PPy composite nanosheets. The synthesized Cu₈S₅ nanoparticles with a diameter in the range from tens to hundreds of nanometers are dispersed within PPy decorated rGO nanosheets. The resultant ternary rGO/Cu₈S₅/PPy composite nanosheets exhibit a higher peroxidase‐like catalytic activity toward the oxidation of 3,3′,5,5′‐tetramethylbenzidine in the presence of H₂O₂ than GO/CuO and rGO/CuS composite nanosheets, revealing a synergistic effect on their activity. The as‐prepared rGO/Cu₈S₅/PPy platform provides a simple colorimetric approach for the detection of H₂O₂ and phenol with a high sensitivity. This work offers a new way for the fabrication of rGO‐based nanocomposite with superior enzyme‐like activity, which displays great potential applications in biocatalysis and environmental monitoring.     

Localized states emission in type‐I GaAsSb/AlGaAs multiple quantum wells grown by molecular beam epitaxy

As an important candidate for novel infrared semiconductor lasers, the optical properties of GaAsSb‐based multiple quantum wells (MQWs) are crucial. The temperature‐ and excitation power‐dependent photoluminescence (PL) spectra of the GaAs_0.92Sb_0.08/Al_0.2Ga_0.8As MQWs, which were grown by molecular beam epitaxy, were investigated and are detailed in this work. Two competitive peaks were observed from 40 K to 90 K. The peak located at the low‐energy shoulder was confirmed to be localized states emission (LE) and the high‐energy side peak was confirmed to be free‐carrier emission by its temperature‐dependent emission peak position. It is observed that the LE peak exhibited a blueshift with the increase of laser excitation power, which can be ascribed to the band filling effect of localized states. Our studies have great significance for application of GaAsSb‐based MQWs in infrared semiconductor lasers.

     

Normal tracing deflectometry using a secondary light source

Scanning deflectometric profilers based on an f–gθ system are typical optical tools used to measure mirror profiles at many synchrotron facilities. Unlike these profilers, which are based on a pencil beam, here a secondary light source and a pinhole are used to construct a system that automatically selects a beam that will always pass through the pinhole and propagate along the normal direction of the measured area on the surface under test. By measuring the angle variation of the selected beam, slope variations of the surface under test can be measured. Systematic errors introduced by manufacturing defects or aberrations of an optical element, which greatly degrade the performance of traditional profilers, could be minimized by using the developed method. Simulation values of the proposed method and a conventional method are compared.