Self-assembly of Carboxyl Functionalized Polystyrene Nanospheres into Close-packed Monolayers via Chemical Adsorption

The polyacrylic acid functionalized polystyrene nanospheres were synthesized and self-assembled into irregular, densely packed monolayers in non-aqueous media. The polymer nanoparticles were chemically adhered to substrates. The morphologies of the resulting films were investigated. The impact of the volume fraction of alcohol in the mixed solvents on the particle adsorption and fabrication of nanosphere assembled films was examined.     

Fabrication of Zeolite A Rods with Irregular Macropores by Self-assembly of Zeolite A Microcrystals Using Microwave-assisted Hydrothermal Synthesis

Zeolite A rods by self-assembly of zeolite A microcrystal were successfully synthesized by microwave-assisted hydrotherrnal synthesis. The average size of zeolite crystals consisting of self-assembling materials was about 300 nm and the length of zeolite rods was in the range of 15--30μm.     

Studies on the Adsorption of Asymmetrical Triblock Copolymers by Scheutjens-Fleer Theory and Monte Carlo Simulation

The adsorption of asymmetrical triblock copolymers from a non-selective solvent on solid surface has been studied by using Scheutjens-Fleer mean-field theory and Monte Carlo simulation method on lattice model. The main aim of this paper is to provide detailed computer simulation data, taking A8-kB20Ak as a key example, to study the influence of the structure of copolymer on adsorption behavior and make a comparison between MC and SF results. The simulated results show that the size distribution of various configurations and density-profile are dependent on molecular structure and adsorption energy. The molecular structure will lead to diversity of adsorption behavior. This discrepancy between different structures would be enlarged for the surface coverage and adsorption amount with increasing of the adsorption energy. The surface coverage and the adsorption amount as well as the bound fraction will become larger as symmetry of the molecular structure becomes gradually worse. The adsorption layer becomes thicker with increasing of symmetry of the molecule when adsorption energy is smaller but it becomes thinner when adsorption energy is higher. It is shown that SF theory can reproduce the adsorption behavior of asymmetrical triblock copolymers. However, systematic discrepancy between the theory and simulation still exists.The approximations inherited in the mean-filed theory such as random mixing and the allowance of direct back folding may be responsible for those deviations.     

Structure and Photoluminescence of Nano-ZnO Films Grown on a Si （100） Substrate by Oxygen- and Argon-Plasma-Assisted Thermal Evaporation of Metallic Zn

Nano-ZnO thin films were prepared by oxygen- and argon-plasma-assisted thermal evaporation of metallic Zn at low temperature, followed by low-temperature annealing at 300℃ to 500℃ in oxygen ambient. X-ray diffraction patterns indicate that the nano-ZnO films have a polycrystalline hexagonal wurtzite structure. Raman scattering spectra demonstrate the existence of interface layers between Zn and ZnO. Upon annealing at 400℃ for i h, the interface mode disappears, and photoluminescence spectra show a very strong ultraviolet emission peak around 381 nm. The temperature-dependent PL spectra indicate that the UV band is due to free-exciton emission.     

氧化钴—氧化锰／吸附树脂对甲酚的催化氧化性能的研究与结构表征

本文通过制备吸附树脂Ｄ３５２０负载的钴，锰双金属氧化物催化剂（Ｃｏ－Ｍｎ－Ｏ／Ｄ３５２０），考察了在强碱性醇溶液中氧化对甲酚制对羟基苯甲醛的催化性能。利用ＸＲＤ，ＸＰＳ，ＩＲ等方法研究了催化剂的表面结构及其与催化性能的关系。     

分子和金表面相互作用的第一性原理研究

从第一性原理出发利用密度泛函理论研究了 4 ,4′ 二巯基联苯分子和金表面的相互作用 ,并利用了前线轨道理论和微扰理论定量地确定了该相互作用能常数. By using density functional theory, we have investigated the interaction between a thiol-phenyl molecule (4-4′-dimercaptodibenzene) and a gold surface. The frontier orbit theory and the perturbation theory are also employed to determine quantitatively the constant of interaction energy. The results show that the bonding between the sulfur atom and the gold atoms corresponds mainly to the covalent bond and some molecular orbits are extended over the molecule and gold cluster which certainly give channels...     

Study on the in—plane electrical resistivity and thermoelectric power in single crystals of La2—xBaxCuO4

The in-plane electrical resistivity and thermoelectric power have been measured on single crystals of La_2-xBa_xCuO₄ at around x=0.125. The room temperature resistivity and thermopower have their maximum values at x=0.125, indicating that the carrier concentration is the minimum and the carriers are most strongly localized at x=0.125. The observed semiconductor-like behaviour can be well described by the weak-localized quasi-two-dimensional state. The steep rise in electric resistivity of the sample at x=0.125 below 70K is attributed to the formation of static stripe-order of holes and spins, which are pinned by the low-temperature tetragonal (LTT) structure, as discovered in La_1.48Nd_0.4Sr_0.12CuO₄. The temperature dependence of electric resistivity below 70K is still well described by the formula ρ∝ lnT. A definite change in the slope of thermopower is observed at the low-temperature orthorhombic-LTT structural phase transition temperature. The origin of the 1/8 anomaly is discussed in the text.     

热漫散射贡献的高能电子衍射吸收结构因子的Doyle—Turner解析表达

给出了一种数值计算高能电子衍射吸收结构因子的方法，并利用模拟退火结合保温相变以及线性最小二乘拟合等算法，对所计算的吸收结构因子数值进行了含１０个参数的Ｄｏｙｌｅ－Ｔｕｒｎｅｒ解析表述的拟合，作为示例，给出Ｂｅ，Ａｌ，Ａｓ，Ａｇ，Ａｕ等５个元素的拟合结果和精度，并作出Ａｌ的绝对偏差量和相对偏差量曲线。     

Thermal Rate Constants of the N（^4S）＋O2（X^3∑g^-） → NO（X^2Ⅱ） ＋O（^3P） Reaction on the ^2A′ Potential Energy Surface

A quasiclassical trajectory study with the sixth-order explicit symplectic algorithm for the N（^4S）＋O2（X^3∑g^-） → NO（X^2Ⅱ） ＋O（^3P） reaction has been reported by employing a new ground potential energy surface. We have discussed the influence of the relative translational energy, the vibrational and rotational levels of O2 molecules on the total reaction cross section. Thermal rate constants at temperatures 300, 600, and 1000 K determined in this work for the reaction are 4.4 × 10^7, 1.8 × 10^10, and 3.1 × 10^11 cm^3mol^-1s^-1, respectively. It is found that they are in better agreement with the experimental data than previous theoretical values.