层状四水硫酸锆催化合成乙二醇单乙醚醋酸酯反应机理的理论研究

采用以量子化学ASED－MO（含原子对排斥的EHMO法）为基础的结构自动优化EHTOPT法,研究了层状四水硫酸锆催化合成乙二醇乙醚醋酸酯的反应机理;构筑了反应组分乙二醇单乙醚羟基上的氢原子通过氢 键与层状四水硫酸锆结晶水上的氧原子结合。同时,还研究了醋酸在四水硫酸锆表面形成正碳离子的结合状态,提出了相应的酯化反应机理,在此基础上推导出的动力学方程与实验结果相符。     

Ni-catalyzed hydroboration and hydrosilylation of olefins with diboron and silylborane

Herein we report a Ni-catalyzed formal hydroboration of olefins, which afforded anti-Markovnikov-type alkylboranes with B₂pin₂ and a stoichiometric amount of water. Formal hydrosilylation using air- and moisture-sensitive silylboranes also proceeded under optimized conditions. The reaction with trans-stilbene and D₂O resulted in 1,2-H migration, which suggested that the reaction proceeded via β-hydride elimination and reinsertion mechanisms.     

聚晶立方氮化硼刀具切削高锰钢的磨损机制

在半精加工试验条件(切削深度ap=0．5mm，进给量f=0．3mm／r，干切)下研究了聚晶立方氮化硼刀具切削奥氏体高锰钢时的磨损机制，用WDH-Ⅱ型光电温度计测量了切削温度，用工具显微镜测量后刀面磨损量，进而考察了切削时间和切削速度对后刀面磨损量的影响，采用S-250MK型扫描电子显微镜观察刀具前、后刀面的磨损形貌和组成变化．结果表明：当切削温度为400～750℃时，聚晶立方氮化硼刀具同高锰钢中的γ相及其析出相(Fe，Mn)3C之间产生严重的机械磨损；当切削温度超过800℃时，聚晶立方氮化硼刀具同高锰钢单一γ相之间产生扩散磨损；聚晶立方氮化硼刀具适合于高速切削.     

半导体芯片化学机械抛光过程中材料去除机理研究进展

就国内外关于集成电路芯片化学机械抛光(CMP)材料去除机理研究的现状和进展进行了评述，总结了集成电路芯片常用介电材料二氧化硅以及导电互连材料钨、铝及铜的化学机械抛光研究现状和进展，进而分析了化学机械抛光过程中化学作用同机械作用的协同效应，指出关于芯片化学机械抛光的材料去除机理尚存在争议，因此有必要在CMP研究领域引入原子力显微镜和电化学显微镜等先进分析测试设备和相关技术，以便在深入揭示CMP过程中材料去除机理的基础上，为更好地控制CMP过程和提高CMP效率提供科学依据．     

The Carboxyl Functionalized UiO-66-(COOH)2 for Selective Adsorption of Sr2+

Efficient and selective removal of ⁹⁰Sr is an important process for the safe use of nuclear energy. Herein, we investigate and assess the Sr²⁺ adsorption properties of a metal-organic framework UiO-66-(COOH)₂ functionalized by non-bonded carboxylic groups. This MOF is an exciting class of free carboxylic functionalized MOFs that combine chemical stability with gas sorption, dye elimination, and conductivity. Specifically, we show that uniformly distributed carboxyl and water stability make it accessible for loading Sr²⁺ without structural changes. The FTIR spectroscopy, PXRD analysis, XPS, and SEM-EDS studies show excellent stability as well as the strong affinity between -COOH active site and Sr²⁺. This strong coordination interaction guarantees a high adsorption capacity of 114 mg g⁻¹ within 5 h (pH 5 and 298 K). Combined kinetic and thermodynamic studies show that the surface complexation is strong chemisorption and cost-effective spontaneous process (ΔG = −5.49 kJ mol⁻¹~−2.16 kJ mol⁻¹). The fact that UiO-66-(COOH)₂ not only possesses a high adsorption capacity, but also enables selectivity to Sr²⁺ in the presence of similar radius ions Na⁺ and K⁺, prefigures its great potential for the practical treatment of radioactive Sr²⁺ in polluted water.     

氮掺杂改性二氧化钛光催化剂的研究进展

综述了近年来国内外利用氮掺杂改性二氧化钛的光催化剂性能、提高可见光的利用效率的最新研究进展;分析和讨论了氮掺杂二氧化钛的制备方法、理论计算和结构模型、掺杂机理等;总结了氮掺杂改性二氧化钛存在的问题,同时讨论了今后的研究方向.     

Proton radiation tolerance of nanocrystal memories

We report on proton radiation tolerance of Si-nanocrystal (Si-NCs) MOS structures aiming at non-volatile memory applications. Si-NCs were formed by low-energy (1 keV) ion-beam-synthesis within a 9 nm thick SiO₂ layer. A 2-D layer of Si-NCs with 3 nm mean diameter and 10¹² cm⁻² surface density was successfully achieved. After fabrication of Al capacitors, samples with and without Si-NCs were 1.5 and 6.5 MeV proton were irradiated at doses ranging from 1 Mrad (SiO₂) to 120 Mrad (SiO₂). Significant irradiation-dose-dependent shifts are detected in the C–V curves of the NC-MOS cells and programmed cells are found to undergo bit flip. Despite the above, the attainable memory windows after write/erase operations remain unchanged. Retention time characteristics at room temperature for the write and erase states of irradiated and non-irradiated samples reveal that even after an irradiation dose as high as 120 Mrad (SiO₂) the devices still exhibit long time charge storage behavior. We observe that the erase state flat-band voltage decay rate does not depend on the irradiation-dose while the opposite happens for the write state flat-band voltage decay rate which is found to be directly dependent on D_it values giving insight to the physics of the discharging mechanisms.     

Isospin effects of the Skyrme potential and the momentum dependent interaction at intermediate energy heavy ion collisions

We improve the isospin dependent quantum molecular dynamical model by including isospin effects in the Skyrme potential and the momentum dependent interaction to obtain an isospin dependent Skyrme potential and an isospin dependent momentum interaction. We investigate the isospin effects of Skyrme potential and momentum dependent interaction on the isospin fractionation ratio and the dynamical mechanism in intermediate energy heavy ion collisions. It is found that the isospin dependent Skyrme potential and the isospin dependent momentum interaction produce some important isospin effects in the isospin fractionation ratio.     

Metabonomics study of the effects of traditional Chinese medicine formula Ermiaowan on hyperuricemic rats

To explore the global mechanism of Ermiaowan on hyperuricemia regulation, the holistic function of Ermiaowan for hyperuricemia in rats was firstly assessed by the urinary metabonomics method which was based on ultra‐high performance liquid chromatography with electrospray ionization quadrupole time‐of‐flight mass spectrometry. The urinary targeted metabonomics approach combined with the serum biochemical analysis and histological assay was conducted to verify the research result. As a result, the significant differences in metabolic profiles were observed from Ermiaowan‐treated group, model group, and healthy control group by using multivariate statistical approaches. Twenty therapeutic related metabolites were identified in response to the therapeutic effects of Ermiaowan, which were mainly associated with purine metabolism, pyrimidine metabolism, tryptophan metabolism, tricarboxylic acid cycle, and tyrosine metabolism. In addition, the urinary targeted metabonomics study showed that Ermiaowan can better restore the disturbed pathways than Phellodendri cortex and Atractylodis rhizome. The biochemical assay and histopathological assay confirmed that Ermiaowan could significantly reduce uric acid and fibrosis areas of kidney. These results provided new insights into the mechanism of Ermiaowan on hyperuricemia.