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在常温常压下采用新型旋转电极等离子体反应器，对辉光等离子体作用下的甲烷偶联反应制C2烃进行了研究。结果表明，甲烷偶联反应的主要产物为C2H2，占C2烃的80%以上，能量效率在5.6%～11.2%之间；增加H2含量可以提高CH4转化率和C2烃收率；在500～2200kJ•mol−1的能量密度范围内，CH4转化率随能量密度的增大而线性增加，C2烃收率随着能量密度的增加呈峰形变化趋势。     

Methane activation on Ni(1 1 1): Effects of poisons and step defects

We have, theoretically and experimentally, investigated the dissociation of methane on the terraces and steps of a Ni(1 1 1) surface. Using Density Functional Theory (DFT) total energy calculations combined with Ultra High Vacuum (UHV) experiments, we find that the steps exhibit a higher activity than the terraces. We have, furthermore, investigated how carbon and sulfur present on the surface will deactivate the steps, leaving only the terraces active. We find the intrinsic sticking probabilities of methane on the steps and terraces at 500 K to be 2.8 × 10⁻⁷ for the steps and 2.1 × 10⁻⁹ for the terraces, in complete agreement with our calculated difference in activation energy of 17 kJ/mol.     

等温平台石墨炉原子吸收光谱法测定高纯镍中痕量杂质锑

利用石墨炉原子吸收法，在等温平台条件下直接测定高纯镍中的痕量杂质锑，对石墨炉加热程序中的干燥时间、灰化温度及原子化温度进行了优化，同时考察了介质酸度的影响。试验表明，基体镍对锑的测定有显著的影响，为此进行了标准系列基体匹配。该法的特征质量为6．6pg；相对标准偏差为6．5％；加标回收率为100％-103％。     

Electrode “edge effects” analyzed by the Green function method

An exact method based on Green's equation is used to find the diffusion-controlled faradaic current for certain electrode geometries that incorporate edges and vertices. Thereby the magnitudes of the time-independent current density associated with angled electrode/electrode and electrode/insulator junctions are calculated. As well, the square-root-of-time-dependent currents associated with vertices, receive attention. These terms extend to longer times, the Cottrell formulation appropriate for short times. Though most of the problems solved here have been tackled previously, the novel Green function approach is shown to be straightforward and intuitive.     

无电极电光电场传感器灵敏度提高的研究

从提高灵敏度角度出发,理论上分析了无电极电光电场传感器电极长度与灵敏度和带宽的关系.通过比较不同结构的传输函数,验证平衡检测方式的可行性,最后选取使用平衡检测的三端口结构作为实验器件结构,从而为器件制作的可行性方案从理论上作了验证.     

A first-principles study of surface and subsurface H on and in Ni(1 1 1): diffusional properties and coverage-dependent behavior

Periodic, self-consistent, density functional theory (GGA-PW91) calculations are performed for both surface and subsurface atomic hydrogen on and in Ni(1 1 1). At a low coverage (θ=0.25 ML), the binding energies (BEs) of a hydrogen atom in surface fcc, subsurface octahedral (first layer), and subsurface octahedral (second layer) sites are −2.89, −2.18, and −2.11 eV, respectively. The activation energy barriers for hydrogen diffusion from the surface to the first subsurface layer and from the first to the second subsurface layer are estimated to be 0.88 and 0.52 eV, respectively. In the entire coverage range studied, hydrogen occupies surface fcc and hcp sites and subsurface octahedral sites. In addition, the magnitude of the BE per hydrogen atom and the magnetization of the nickel slabs both decrease as hydrogen coverage increases. Vibrational frequencies of hydrogen at various surface and subsurface sites are calculated and are in reasonable agreement with experimental data. A phase stability calculation with a 2 × 2 surface unit cell shows that a p(2 × 2)-2H overlayer structure (θ=0.5 ML) and a p(1 × 1)-1H structure (θ=1.0 ML) are stable at low hydrogen pressures, in agreement with numerous experimental results. A very large increase in pressure is required to populate subsurface sites. After such an increase occurs, the first subsurface layer is filled completely.     

A convenient microwave assisted arylzinc generation-Negishi coupling protocol

Arylzinc reagents were readily prepared from aryl iodides using a Zn-Cu couple in a microwave environment. A sequential arylzinc formation-Negishi cross-coupling protocol suitable for parallel high-throughput synthesis has been developed.     

新型的不锈钢镀Pt（Ir）电极

应用欠电位沉积与锚定效应，研制了一种新型的不锈钢镀Ｐｔ（Ｉｒ）电极，此电极具有优越的电化学特性，可望用于微传感器。     

Electrooxidation of carbo/thiocarbohydrazide and their hydrazone derivatives at a glassy carbon electrode

Electrochemical oxidation of thio/carbohydrazide and their hydrazone derivatives Benzaldehyde thiocarbohydrazone [BTCH] diacetylene thiocarbohydrazone [DATCH] have been studied in Brit-ton Robinson buffer in aqueous and nonaqueous media at a glassy carbon electrode. The effects of pH, sweep rate, concentration, temperature and surfactants have been studied. The complex bis (carbo/thiocabohydrazide) Zn(II) chloride was also subjected to voltammetric analysis in order to understand the reactivity both in free and metal bound states. The reaction conditions were optimized for the determination of above compounds in micrograms quantities by differential pulse voltammetry, analytical utility of this investigation is also highlighted.