结晶化学基础理论在现代X射线单晶结构分析中的一些应用

研究化学物质分子结构的方法很多,而衍射法是其中主要的方法之一,它包括X射线衍射、中子衍射和电子衍射等。由于X射线容易得到,而且成本较低,因此、X射线衍射法是分     

Electron Holography of Barrier Structures in Co／ZrAlOx／Co Magnetic Tunnel Junctions

We investigate the potential profiles and elemental distribution of barriers in Co/ZrAlOx/Co magnetic tunnel junctions (MTJs) using electron holography (EH) and scanning transmission electron microscopy. The MTJ barriers are introduced by oxidizing a bilayer consisting with a uniform 0.45-nm Al layer and a wedge-shaped Zr layer (0-2 nm). From the scanning transmission electron microscopy, AlOx and ZrOx layers are mixed together, indicating that compact AlOx layer cannot be formed in such a bilayer structure of barriers. The Eli results reveal that there are no sharp interfaces between the barrier and magnetic electrodes, which may be responsible for a smaller tunnelling magnetoresistance compared with the MTJs of Co/AlOx/Co.     

发挥“数学应用”教学的多方面素质教育功能

素质教育要求数学教学要培养学生的数学应用能力，我们认为培养学生数学应用能力既是目的，也是手段，在培养学生的数学应用能力的过程中，还应努力挖掘其它的素质教育功能，充分发挥“数学应用”教学的多层次素质教育作用．１．在“数学应用”教学中培养学生的数学应用能...     

离子注入合成β-FeSi2薄膜的显微结构

采用MEVVA源(Metal Vapor Vacuum Arc Ion Source)离子注入合成β-FeSi2薄膜,用常规透射电镜和高分辨电镜研究了不同制备参数下β-FeSi2薄膜的显微结构变化. 研究结果表明:调整注入能量和剂量,可以得到厚度不同的β-FeSi2表面层和埋入层. 制备过程中生成的α,β,γ和CsCl型FeSi2相的相变顺序为γ-FeSi2→β-FeSi2→α-FeSi2,CsCl-FeSi2→β-FeSi2→α-FeSi2或β-FeSi2→α-FeSi2. 当注入参数增加到60kV,4×1017ions/cm2,就会导致非晶的形成,非晶在退火后会晶化为β-FeSi2相,相变顺序就变为非晶→β-FeSi2→α-FeSi2. 随退火温度逐渐升高硅化物颗粒逐渐长大,并向基体内部生长,在一定的退火温度下硅化物层会收缩断裂为一个个小岛状,使得硅化物/硅界面平整度下降. 另外,对于β-FeSi2/Si界面取向关系的研究表明,在Si基体上难以形成高质量β-FeSi2薄膜的原因在于多种非共格取向关系的并存、孪晶的形成以及由此导致的界面缺陷的形成.     

多人多目标资源分配协商对策

资源分配问题,一直是决策分析理论研究的核心问题之一.从对各种经济系统进行决策分析中,可得出一类多人多目标资源分配问题的数学描述如下:     

Fabrication and Characterization of Ni Thin Films Using Direct-Current Magnetron Sputtering

Ni films are deposited by using ultra high vacuum dc magnetron sputtering onto silicon substrates at room temperature, and the high-quality and high-density films are prepared. The parameters, such as thickness, density and surface roughness, are obtained by using small-angle x-ray diffraction (XRD) analyses with the Marquardt gradient-expansion algorithm. The deposition rate is calculated and the Ni single layer can be fabricated precisely. Based on the fitting results, we can find that the surface roughness of the Ni films is about 0.7nm, the densities of Ni films are around 97% and the deposition rate is 0.26nm/s. The roughness of the surface is also characterized by using an atomic force microscope (AFM). The changing trend of the surface roughness in the simulation of XRD is in good agreement with the AFM measurement.     

1,3,3a,5-四苯基-3a,4,5,11-四氢-3H,6H-1,2,4-三唑并[4,3-d][1,5]苯并二氮杂(艹卓)的合成及晶体结构

通过2,4-二苯基-2,3-二氢-1H-1,5-苯并二氮杂(艹卓)与苯甲酰氯苯腙的[2+3]环加成反应制备了标题化合物,用X射线单晶衍射仪测定了其晶体结构.晶体属正交晶系,空间群为Fdd2.晶胞参数:a=1.762 8(4)nm,b=5.751 2(12)nm,c=1.022 7 nm,V=10.368(5)nm3,Z=16,Dc=1.262 g·cm-3,μ=0.075 mm-1,F(000)=4 160,1 139个可观测衍射点,R-0.046 1,Rw=0.056 0.     

室温CO催化氧化反应动力学的研究

本文采用无梯度反应器,考察了纳米金催化剂以及其它商品化的催化CO氧化催化剂,在不同CO浓度下催化CO氧化反应的转化率和反应速率,证明在CO初始浓度从ppm到pct数量级范围内,纳米金催化剂具有最好的催化CO室温转化的能力.     

低价钒化合物结构化学研究 Ⅰ. [VCL2·(THF)4]+[ZnCl3·THF]-的合成与晶体结构

The title compound has been synthesized under nitrogen atmosphere using V_2O_5 for the initiator by Schlenk techniques. It′s single crystal, which is very air and water-sensitive, was obtained and determined from three-dimensinal x-ray diffraction data collected by the four-circle diffractometer. The crystals are orth- orhombic with space group D_2~4-P_(212121) and unit cell constants a=0.909 nm, b=1.4909 nm, c=2.1635 nm and z=4. We derived first the positional parameters of V, Zn, Cland O atoms by direct method using SHELXTL program. The coordinates of other the non-hyleast-squares refinement for all atoms gave a final discrepency factor R=0.0945 and RW=0.0674.The result of structure analysis shows that the compound is composed of the octahedral cation [VCl_2·(THF)_4]~+ and the tetrahedral anion [ZnCl_3·THF]~-.The reaction mechanism was discussed. The title compound is reaction product of VCl_3 with ZnCl_2 in THF.     

NO2在黑碳表面的非均相反应

HONO是大气中OH自由基的重要来源,NO2在黑碳表面可反应生成HONO,因此NO2在黑碳表面的非均相反应引起了人们的关注。目前不同研究小组测量的摄取系数可相差7个数量级,选择不同的摄取系数去评估非均相反应的重要性将得到完全不同的结果。本文在深入分析NO2在黑碳表面反应机理的基础上,从反应体系、黑碳表面性质、反应条件等角度对不同小组测量的摄取系数存在差异的原因进行了分析,为模式中摄取系数的选取提供了依据。