Origin of the 420 nm Absorption Band and Effect of Doping Fluorine in PbWO4 Crystals

The electronic structures for three types of PbW04 (PWO) crystals, the perfect PWO, the PWO containing lead vacancy (PWO-Vpb) and fluorine doped PWO crystal (F^-：PWO), are systematically studied within the framework of density functional theory. The computational results show that the Pb 6s state situates below the valence band so that Pb^2 ions are unable to trap holes forming Pb^3 or Pb^4 to compensate for VPb^2-. The hole-trappers in PWO-Vpb are O^2- ions. Two of the longer-bond O^2- ions share a hole forming O2^3-, and four of the longer-bond oxygen ions trap two holes forming an associated color centre [O2^3--Vpb-O2^3-], which may be the origin of the 42Onto absorption band. It is also concluded that the doping of F^- would reduce the band gap and F^- ions substituting for O^2- can effectively restrict the formation of [O2^3--Vpb-O2^3-] and weaken the 42Onm absorption band and hence enhance the scintillation property of PWO.     

Fabrication of Dendrimer－like PAMAM Based on Silica Nanoparticles

A G 4.0 dendrimer-like poly (amido amine) (PAMAM) based on silica nanoparticles was fabricated via a divergent approach.It was built from γ-aminopropyi silica nanoparfides (APSN) core via repetitive addition of acrylate (MA) and hexylenediamine (HDA). FT-IR and EA were used to monitor the progress of dendrimer during each step. The amino group content of the resulting product increased from 0.49 to 3.72 mmol/g after the 4th generation. In addition, the percentage of grafting increased with increasing generation and reached to 65.9% after 4th generation. It was found that the resulting silica nanoparticles could be dispersed in methanol with a mean hydrodynamic particle diameter of 152.7 nm although the silica nanoparticles had agglomerated during the storage period.     

纳米氧化钛-乙二醇溶胶溶液的研究

选用了钛酸丁酯、硬脂酸和乙二醇作为表面活性剂，采用表面化学修饰和表面物理修饰2种方法修饰纳米氧化钛，然后分散在乙二醇溶剂中形成溶胶溶液．并通过红外光谱仪、紫外分光计、原子力显微镜，分析了表面化学修饰后的纳米氧化钛表面化学结构的变化，观测了纳米氧化钛溶胶在乙二醇溶剂中稳定性．试验结果表明表面活性剂与纳米氧化钛的表面的不饱和键之间形成了新的化学结构，粒子表面可能接枝上有机长链，提高了纳米粒子在溶剂中的相容性．表面化学修饰后的纳米氧化钛与乙二醇溶剂形成了较稳定的溶胶体系，而且纳米溶胶粒径较小．表面活性剂添加量与纳米粒子添加量控制在(1～1．2)：1时，可以获得纳米溶胶粒径较小，同时溶胶稳定性较好的纳米氧化钛-乙二醇溶胶体系．     

偶联分子对金纳米粒子在玻片上组装的影响

将金纳米粒子组装在用3-氨基丙基-三乙氧基硅烷(APES)修饰的普通玻片上,再分别用偶联分子对巯基苯胺、1,4-二巯基苯在该基底上再次组装金纳米粒子,结果表明用对巯基苯胺作为组装的偶联分子得到双层金纳米粒子结构,对巯基苯胺的表面增强拉曼光谱信号得到增强,而用1,4-二巯基苯作为组装的偶联分子得到单层金纳米粒子结构。     

Atomic-scale simulation of nano-grains:structure and diffusion properties

Nanograins are characterized by a typical grain size from lto 100 nm.Mclecular dynamics aimubations have been carried out for the nanograin sphere with the diameters from 1.45 to 10.12 nm.We study the influence of grain size on structure and diffusion properties of the nanograins.The results reveal that as the grain size is reduced,the fraction of grain surface increases significantly,and the surface width is approximately constant；the diffusicn coefficlent is increased sharply,and the relation of the diffusion coefficient and the grain size is close to exponential relation below 10nm.     

纳米Zr-V-O粉末的XRD及TG-DSC研究

利用机械合金化制备纳米Zr-V粉末，对制备过程的材料进行物相分析和热分析试验。初始粉末Zr（150μm）和V（150μm）元素粉末（纯度99．15％）按原子比1：2或1：1进行混合后在氩气气氛中放入SimoloyerCMol—2球磨仓中，按几种不同的试验条件进行球磨。同时在997K和1047K下热处理40min和1h，并对热处理前后的粉末进行了物相和TG-DSC实验分析。     

Raman properties embeddedof GaSb nanoparticlesin SiO2 films

The Raman shifts of nanocrystalline GaSb excited by an Ar^ ion laser at wavelengths 514.5, 496.5, 488.0, 476.5,and 457.9nm are studied by an SPEX-1403 laser Raman spectrometer respectively, and they are explained by phonon confinement, tensile stress, resonant Raman scattering and quantum size effects. The Stokes and anti-Stokes Raman spectra of GaSb nanocrystals strongly support the Raman feature of GaSb nanocrystals. The calculated optical spectra compare well with experimental data on Raman scattering GaSb nanocrystals.     

190区超形变核中转动带的组态结构

通过系统研究A～190区超形变核中转动带的转动惯量、角动量顺排、旋称分裂随转动频率的变化规律, 结合我们用处理对力的粒子数守恒方法的计算结果, 对A～190区所有转动带的组态结构给出了一个整体的描述. 绝大多数超形变带都建立在强耦合轨道上, 例如中子[512]5/2, [624]9/2. 少数超形变带则建立在高j闯入轨道上, 即中子[761]3/2, [752]5/2. 根据我们提出的组态结构所进行的理论计算结果表明, A～190区所有转动带的一般行为、反常变化和带交叉都得到了满意的解释.     

Theoretical Analysis of Characteristics of GaxInl—x NyAsl—y／GaAs Quantum Well Lasers with Different Intermediate Layers

Based on the band anticrossing model, the effects of the strain-compensated layer and the strain-mediated layero n the band structure, gain and differential gain of GalnNAs/GaAs quantum well lasers have been investigated. The results show that the GaNAs barrier has a disadvantage in increasing the density of states in the conduction band. Meanwhile, the multilayer quantum wells need higher transparency carrier density than the GalnNAs/GaAs single quantum well with the same wavelength. However, they help to suppress the degradation of the differential gain. The calculation also shows that from the viewpoint of band structure, the strain-compensated structure and the strain-mediated structure have similar features.     

Nano-tribological study on a super-hydrophobic film formed on rough aluminium substrates

A novel super-hydrophobic stearic acid (STA) film with a water contact angle of 166^o was prepared by chemical adsorption on aluminum wafer coated with polyethyleneimine (PEI) film. The micro-tribological behavior of the super-hydrophobic STA monolayer was compared with that of the polished and PEI-coated Al surfaces. The effect of relative humidity on the adhesion and friction was investigated as well. It was found that the STA monolayer showed decreased friction, while the adhesive force was greatly decreased by increasing the surface roughness of the Al wafer to reduce the contact area between the atomic force microscope (AFM) tip and the sample surface to be tested. Thus the friction and adhesion of the Al wafer was effectively decreased by generating the STA monolayer, which indicated that it could be feasible and rational to prepare a surface with good adhesion resistance and lubricity by properly controlling the surface morphology and the chemical composition. Both the adhesion and friction decreased as the relative humidity was lowered from 65% to 10%, though the decrease extent became insignificant for the STA monolayer. The project supported by the National Natural Science Foundation of China (50375151, 50323007, 10225209) and the Chinese Academy of Sciences (KJCX-SW-L2)