平面结构非均匀体系的介电驰豫—组成相的数目与电导对驰豫的影响

非均匀体系在０．１ｋＨｚ－１０ＭＨｚ频率范围显示出显著的介电驰豫，为了弄清介电驰豫的原因以及该驰豫与非均匀体系界面数目的关系，本文从介电的观点在理论及实验两方面讨论了典型的非均匀体系的例子：膜／溶液体系。特别地，对频率域的介电驰豫谱与组成相的结构及浓度的关系进行了分析，并在Ｍａｘｗｅｌｌ－Ｗａｇｎｅｒ机理的基础上现象论地解释了驰豫的原因，非均匀体系的介电驰豫性质具有下列特征：（１）介电驰豫数目等于     

交联共聚丙烯酰胺-丙烯酸水凝胶溶胀态分子动力学的NMR弛豫研究

用反相悬浮聚合法制备了交联度分别为10％、7．5％、5％、1％、0．5％及0．25％的丙烯酰胺-丙烯酸P（AAM－NaAA）交联共聚水凝胶，用HNMR驰豫方法测定了水及聚合物主链上（－CH2CH－）基团中质子的自旋-自旋驰豫时间（T2），并结合质子线型分析，研究了交联凝胶在溶胀态下的内部分子运动，讨论了不同交联度下谱线线宽及驰豫变化的机制。结果表明，由于交联使凝胶内部各向异性相互作用增强，存在有残余的偶极-偶极相互作用，质子语具有特征的超Lorentz线型；质子线宽比非交联态时加大，水及主链的T2随交联度的加大而减小，反映了内部分子运动由强变弱的过程；水的T2驰豫不是单纯的单指数驰豫行为，表明凝胶内部有较强的键合束缚水存在，与DSC实验的结论一致。     

不同衬底生长Bi2VO5.5薄膜及性能研究

用溶胶-凝胶法分别在LNO/Si(100)和ITO/glass衬底上成功制备了Bi2VO5.5(BVO)薄膜。通过X射线衍射(XRD)和原子力显微镜(AFM)研究了薄膜的结构和表面形貌。结果表明,两种衬底上生长的BVO薄膜均具有(001)择优取回的单一相结构,晶粒大小均匀,结晶度良好。BVO薄膜介电特性的分析表明,1kHz～1MHz频率范围内,BVO薄膜在ITO衬底上表现出更稳定的介电特性,这主要归因于薄膜择优取向程度、晶粒大小和晶界特点的影响。两种衬底上BVO薄膜中的驰豫过程属于多分散系统的德拜驰豫。BVO薄膜的拉曼光谱研究表明薄膜结构几乎不受衬底影响。     

在NiSO4表面上激光促进CO＋H2合成乙烯反应机理

利用红外光谱、程序升温脱附、程序升温表面反应和激光表面反应技术研究了固体ＮｉＳＯ_４表面上ＣＯ、Ｈ_２和Ｃ_２Ｈ_４的化学吸附性能及激光促进ＣＯ加氢合成乙烯的反应机理。实验结果表明：在硫酸镍固体表面上卧式吸附于Ｓ－Ｏ－Ｎｉ键Ｓ位和Ｎｉ位的ＣＯ是激光合成乙烯的有效吸附态；解离吸附于硫氧双键氧位上的Ｈ参与ＣＯ加氢反应；激光选择激发表面Ｓ－Ｏ键，通过能量传递和驰豫使卧式吸附态Ｃ＝Ｏ键活化并与吸附态Ｈ反应生成ＣＨ_２物种和Ｈ_２Ｏ，继而邻近的ＣＨ_２结合形成产物Ｃ_２Ｈ_４。     

应用渐进因子分析法研究了SiO2／Si样品俄歇深度剖析

首次利用渐进因子分析法对ＳｉＯ２／Ｓｉ样品俄歇深度剖析过程进行研究，发现ＳｉＯ２／Ｓｉ界面处有ＳｉＯｘ成分存在，ｘ值在１．０～１．５之间，厚度约为３０ｎｍ，含量接近５０％，Ａｒ＾＋离子束的轰击使得ＳｉＯ２薄膜内分解产生亚稳态ＳｉＯ２含量在１７％左右，研究结果表明，渐进因子分析法非常适合于俄歇深度剖析的化学态分析。     

应用渐进因子分析法研究SiO_2/Si样品俄歇深度剖析

首次利用渐进因子分析法对ＳｉＯ２／Ｓｉ样品俄歇深度剖析过程进行研究，发现ＳｉＯ２／Ｓｉ界面处有ＳｉＯｘ成分存在，ｘ值在１０～１５之间，厚度约为３０ｎｍ，含量接近５０％。Ａｒ＋离子束的轰击使得ＳｉＯ２薄膜内分解产生亚稳态ＳｉＯ２，含量在１７％左右。研究结果表明，渐进因子分析法非常适合于俄歇深度剖析的化学态分析。     

强度调制光电流谱研究纳晶CdSe薄膜电极的界面电荷转移过程

用强度调制光电流谱（ＩＭＰＳ）研究纳晶ＣｄＳｅ薄膜电极在多硫化钠溶液中的界 面电荷转移性能．从不同外加电压和不同溶液浓度下的光电流谱响应所得到的参数归 一化稳态光电流和表面态寿命,分析了界面电荷的直接转移和间接转移过程以及电荷 复合过程,并与多晶ＣｄＳｅ薄膜电极的结果进行了比较．     

层间反应法制备CaGa2S4∶Ce电致发光器件

报道了用层间反应法制备ＣａＧａ２Ｓ４∶Ｃｅ薄膜，用电子束蒸发法交替沉积ＣａＳ∶Ｃｅ和Ｇａ２Ｓ３膜，然后经一定的处理，获得ＣａＧａ２Ｓ４∶Ｃｅ膜。Ｘ射线衍射、ＳＴＥＭ显微照片和ＥＤＸ等分析结果表明，产物为结晶度较好、符合ＣａＧａ２Ｓ４∶Ｃｅ化学计量比的发光薄膜，并得到了Ｃｅ３＋的蓝色发光谱。     

非线性光学环氧聚合物的近程结构对二次谐波产生驰特性的影响

设计合成了三种具有不同主链化学结构的二阶非线性光学功能化环氧聚合物，并对其化学结构进行了表征，考察了聚合和近程结构对材料极化后二次谐波产生驰豫特性的影响。极化后线型聚合物链节的扭转弹性回复是二次谐波产生驰豫的主要原因，在温度处于Ｔｇ以下或Ｔｇ附近时玻璃化转变温度的高低决定了二次谐波产和驰豫的快慢；聚合物交联后有助于提高二次谐波产生的稳定性，但此时取合物单个链节结构的柔顺性成为影响二次谐波产生驰豫的     

层间反应法制备CaGa2S4：Ce电致发光器件

报道了用层间反应法制备了ＣａＧａ２Ｓ４：Ｃｅ薄膜，用电子束蒸发交替沉积ＣａＳ：Ｃｅ和Ｇａ２Ｓ３膜，然后经一定处理，获得了ＣａＧａ２Ｓ４；Ｃｅ膜。Ｘ射线衍射，ＳＴＥＭ显微归照片ＥＤＸ等分析结果表明，产物为结晶度较好，符合ＣａＧａ２Ｓ４；Ｃｅ化学计量比的发光薄膜，并得到了Ｃｅ＾３＋的蓝色发光谱。     

国产硅藻土吸附尿激酶机理的研究

在常温下, 尿激酶在浙江土和吉林土表面的吸附等温线分别为V型和II型; 焙烧后两者皆转为III型。吸附等温线类型与硅藻土表面结构、孔结构、表面ζ电位有关。在400℃焙烧的硅藻土等电点值最低, 吸附量最大; 改性后, 吸附量也发生改变。本文还测定了尿激酶在硅藻土表面的吸附形态, 其吸附等温线方程符合0/(1-0)=(Kc)^1/β, 并讨论了平衡常数K和尿激酶吸附功能链段数β随温度的变化。     

DFT Study on the Effect of Hydrogen-bond Formation on the Adsorption of Aminotriazines on Graphene

DFT calculations have been performed to explore the aminotriazine adsorption on graphene surfaces.Relative energies,equilibrium geometries and electronic structures of monomer and dimer of aminotriazine molecules adsorbed at the surface were investigated and analyzed in details.It was found that the hydrogen atoms in the NH2 group of aminotriazine molecules are directed toward the graphene surface,and the adsorption energy increases as the NH2 group is added.The adsorbed aminotriazine molecules facilely form a dimer through the hydrogen bonding interactions,and the two aromatic rings of optimized structure of 2-amino-1,3,5-triazine(B) dimmer(denoted by B2) and melamine(D) dimmer(denoted by D2) are parallel to the graphene sheet.The large deviation of the averaged adsorption energy of B2 and D2 compared to monor adsorption may reflect the increase of π-π repulsion and the effect of hydrogen bond formation.The electronic structure analyses reveal that the formation of hydrogen bonds in melamine dimer has great influence on the adsorption mode at the graphene surface.     

MCM-41表面氧化铜的分散研究

金属离子修饰的M41S介孔分子筛催化剂体系是当前多相催化剂研究的热点.虽然有关介孔分子筛金属离子修饰的方法有多种[1],但均存在着负载的金属粒子在载体表面负载量低或分散不均匀等缺点;采用本课题组的有机官能团化法[2]可以得到高分散度和高负载量的介孔分子筛负载金属氧化物     

Simulation Analysis on the Profiles of Droplets Wetting on the Substrates

To study the structural characteristics and physical properties of droplets sitting on the inclined substrates and cylindrical surfaces, wetting experiments are conducted in different cases. The profile curves of the droplets are recorded and extracted by a CCD camera and image processing, respectively. Contact angles are figured out by fitting the profile curves and taking the derivative at the front and rear triple points. Based on the experimental results, a Surface Evolver is employed to simulate the morphological changes by minimizing the total energy of the system. Furthermore, theoretical shapes and feature parameters, including the heights and the spreading distances of the droplets, which are hard to obtain by normal experimental measurements are provided. The contact-angle hysteresis when the heavy droplet sitting on the inclined substrate is discussed. Meanwhile, the evolutions of the contour of the three-phase contact line are predicted when heavy droplets spread on the convex and concave cylindrical surfaces, respectively. This study provides a finite-element analysis method to describe the surface properties of molten droplets on different substrates, and the simulation results agree well with the experimental results.     

Microcalorimetric investigations on the influence of propolis on the bacterium micrococcus luteus

Propolis or bee-glue is the third important product of honey bees after honey and wax. Known for thousands of years for its curative effects it is finding evermore attention in alternative and classical therapy in recent times against, e.g. infections, inflammations, dermatologic diseases and in wound healing.

Microcalorimetric experiments were performed on the influence of several propolis samples from Germany, Uruguay, Ethiopia and of a commercial propolis tincture on growth and metabolism of the recommended gram-positive bacterium Micrococcus luteus. Propolis extracts were prepared following established recipies for the water-soluble and insoluble components and the precipitate.

Addition of these extracts to a growing M. luteus culture in different growth phases resulted in a strong decline of the heat production rate, a prolongation of the lag phase or an introduction of a new, second lag phase, while the form of the calorimetric power-time curve remained unchanged. The calorimetric response showed a linear dependence on the propolis concentration. Although the quantitative gain of the extracts from the different propolis samples was nearly constant, the effects varied considerably between the specimens used.

The calorimetric investigations were supplemented by polarographic oxygen monitoring and by the standard agar well technique to determine the growth inhibition factor of the propolis extracts.     

关于变价态奎宁电极的研制与Ph对电极斜率影响的探讨

本文研究在两种质子化状态存在时奎宁的电极行为与特点,证明在不同pH溶液中变价态奎宁电极电位不能直接用能斯脱公式或Nicolsky-eisenman公式表出,提出了变价态电极的S-σ经验或,并依据此式,用奎宁选择性电极测出20℃下I=0.5McIlvaine缓冲液双质子化奎宁,辛可宁、硫胺的Ka1分别为(8.37±0.96)x10[-5],(8.00±0.92)x10[-5].(8.37±0.96)x10[-6].指出:同系列溶剂介电常数增大,液膜电极斜率增大,存在S-1/ε线性关系,电极可用于奎宁的电位滴定法或直接电位法测定。     

Processes on aluminium on the negative side of the open-circuit potential

Cathodic current—time transients were recorded on high-purity aluminium immersed into a neutral 2 M NaCl solution, when subjected to a potential pulse from a potential around the open-circuit potential, to different negative values. Hydration of the oxide layer occurs at potentials more negative than −1700 mV vs. SCE, whereupon hydrogen is evolved at the metal—hydrated oxide interface. A linear Tafel function is obtained for the maximum current attained in that potential region with a slope of 110 mV dec⁻¹ indicating that the Volmer reaction is the rate-determining step, and the exchange current density for hydrogen evolution at aluminium is estimated at 5 × 10⁻¹¹ A cm⁻². Anodic current responses to the return of the potential to the rest values were also recorded at three different time scales. The presence of some substances, formed at the more negative potentials, other than gaseous hydrogen, was detected and their dependence on potential and cathodic pulse duration is discussed.     

Quantum calculations on the adsorption of halide ions on the noble metals

The interaction of halide ions with the three noble metals has been investigated using the B3LYP density functional method and the cluster model approximation. The results of calculations for the M—X⁻ and M₁₂—X⁻ (M = Cu, Ag, Au; X = F, Cl, Br, I) systems are presented. At the (100) surface, modeled in the present work by the M₁₂ cluster, all halide ions have been found to adsorb preferentially at the hollow site, followed by the bridge and by the top positions. The adsorption energy has been found to decrease when going from fluoride to iodide in both atom—ion and cluster—ion cases. The opposite trend is observed for the estimates of the charge transfer from the ions to the surface. When different metals are compared, the M₁₂—X⁻ interaction energies decrease in the order Au > Ag > Cu, but for the smaller ions some deviations from this line do appear. The relative values of the calculated harmonic vibrational frequencies do agree with those found experimentally, but their magnitude is much smaller as a result of the effect of the lower surface coverage.