Investigation of hydrogen bonding in neat dimethyl sulfoxide and binary mixture (dimethyl sulfoxide + water) by concentration-dependent Raman study and ab initio calculation

In this study,our vibrational spectroscopic analysis is made on hydrogen-bonding between dimethyl sulfoxide and water comprises both experimental Raman spectra and ab initio calculations on structures of various dimethyl sulfoxide/water clusters with increasing water content.The Raman peak position of the v(S=O) stretching mode of dimethyl sulfoxide serves as a probe for monitoring the degree of hydrogen-bonding between dimethyl sulfoxide and water.In addition,the two vibrational modes,namely,the CH 3 symmetric stretching mode and the CH 3 asymmetric stretching mode have been analysed under different concentrations.We relate the computational results to the experimental vibrational wavenumber trends that are observed in our concentration-dependent Raman study.The combination of experimental Raman data with ab initio calculation leads to a better knowledge of the nature of the hydrogen bonding and the structures of the hydrogen-bonded complexes studied.     

Phase mismatching analysis of third-harmonic generation in BBO crystal

<正>Phase mismatching for third-harmonic generation(THG) in barium metaborate(BBO) crystal is investigated in detail.Upon using BBO crystal in the TypeⅠ(oo→e) scheme,in the two independent planes (principal section of the crystal and the plane normal to principal section),when the input second-harmonic beam deviates from the expected direction,phase mismatching occurs and the angle deviation produces different effects on the conversion efficiency.We numerically simulate these two cases of phase mismatching and identify the relation between the conversion efficiency and the deviation angle in the air.The computational results indicate that the phase matching tolerance in the principal section is 0.2°(in the air),while the phase matching tolerance in the plane normal to principal section is 4.5°(in the air).After conducting a lab experiment,the results agree perfectly with the computational results,indicating that the deviation angle in the principal section has a greater effect on the conversion efficiency.     

Diffraction grating single-shot correlation system for measurement of picosecond laser pulses

We study and experimentally demonstrate a sensitive single-shot correlation system in which only a diffraction grating is used to produce a transverse time delay (TTD) in the reference pulse.The mechanism of the TTD introduced by the grating and the formation of the relative time delay (RTD) in the noncollinear correlation system are analyzed in detail.By using our system,we successfully measured the temporal duration of picosecond laser pulses,and a time resolution of ～0.047 ps is obtained at 1047 nm.The impact of the grating dispersion and the second harmonic beam walk-off effect on the measurement are considered.     

二维二氧化硅改性聚环氧乙烷基固态聚合物电解质用于增强锂离子电池性能

通过改性由酸蚀二维蛭石制备的二维二氧化硅,得到带正电荷的二维介孔二氧化硅(PSN⁺)纳米片,并将PSN⁺用作聚环氧乙烷(PEO)基固体聚合物电解质(SPEs)的填料。由于PSN⁺具有丰富的正电荷,PSN⁺与锂盐解离的阴离子能够有效结合,从而促进锂离子的运输,获得较好的锂离子转移数。在50 ℃时,基于PSN⁺的SPEs表现出较高的离子电导率(7.5×10^-5 S·cm^-1),锂离子迁移数为0.30,稳定电压窗为4.41 V。因此,组装后的LiFePO₄锂电池在50 ℃、0.2C下具有优异的初始放电比容量(155.7 mAh·g^-1),在循环100次后容量保持率为97.1%。     

Stochastic Simulation of Turing Patterns

We investigate the effects of intrinsic noise on Turing pattern formation near the onset of bifurcation from the homogeneous state to Turing pattern in the reaction-diffusion Brusselator. By performing stochastic simulations of the master equation and using Gillespie＇s algorithm, we check the spatiotemporal behaviour influenced by internal noises. We demonstrate that the patterns of occurrence frequency for the reaction and diffusion pro- cesses are also spatially ordered and temporally stable. Turing patterns are found to be robust against intrinsic fluctuations. Sfochastic simulations also reveal that under the influence of intrinsic noises, the onset of Turing instability is advanced in comparison to that predicted deterministically.     

离子型稀土矿浸出液除杂与沉淀过程固液强化分离研究

离子型稀土矿浸出液除杂和产品沉淀过程中,高效固液分离对全工艺连续化生产和产品质量提升具有重要作用,也是整个离子型稀土生产流程自动化、智能化的关键步骤。研究表明：在浸出液除杂、沉淀工序添加0.25 g·m^-3 JH2002絮凝剂,利用其电性中和作用和吸附架桥作用,可使Al(OH)₃胶体、碳酸稀土颗粒迅速团聚形成絮凝体,进而加速沉降过程;浸出液循环除杂过程的沉降速率为31.43 mm·min^-1,除杂上清液循环沉淀碳酸稀土产品过程的沉降速率为24.67 mm·min^-1。碳酸稀土产品经煅烧后,所得混合稀土氧化物产品的稀土总量为93.8%,主要杂质Al₂O₃,Fe₂O₃,SiO₂含量均很低,优于GB/T 20169-2015《离子型稀土矿混合稀土氧化物》标准值。此外,经过循环絮凝沉降的沉淀母液用于离子型稀土矿浸取,基本不会对浸出结果产生影响。     

一种新型含硒有机锗化合物的合成及其抗癌活性

合成了一种新型的含硒有机锗化合物 ,其结构经元素分析 ,IR和1HNMR表征。生物活性结果表明当化合物浓度为 10 -4mol·L -1时 ,对人体肝癌细胞的生长抑制率达 81.4 %。     

三维多孔花状ZnO微纳结构的合成及光催化性能

采用电沉积及后续的热处理技术,在Ti衬底上合成了一种三维多孔花状ZnO微纳结构薄膜. 这种ZnO结构是由包含大量纳米颗粒和孔洞的纳米薄片组成,纳米颗粒的大小可以通过调节电沉积时间和煅烧温度控制. 光催化性能的测试表明这种多孔ZnO薄膜是一种理想的光催化剂.     

固体C~6~0取向相变的理论研究

本文利用分子间相互作用势模型研究了固体C~6~0的各种可能的取向状态,根据不同温度下取向运动规律计算出了面心立方到简立方以及到取向玻璃态的两个取向相变的温度,并研究了压力对取向相变的影响,所得结果与实验结果符合