Surface and subsurface oxide formation on Ni(1 0 0) and Ni(1 1 1)

The oxidation of Ni(1 0 0) and Ni(1 1 1) at elevated temperatures and large oxygen exposures, typical of the methods used in the preparation of NiO(1 0 0) films for surface studies, has been investigated by medium energy ion scattering (MEIS) using 100 keV H⁺ incident ions. Oxide film growth proceeds significantly faster on Ni(1 1 1) than on Ni(1 0 0), but on both surfaces oxide penetration occurs to depths significantly greater than 100 Å with total exposures of 1200 and 6000 L respectively. The metal/oxide interface is extremely rough, with metallic Ni extending to the surface, even for much thicker oxide films on Ni(1 1 1). On Ni(1 1 1), NiO growth occurs with the (1 0 0) face parallel to the Ni(1 1 1) surface and the close-packed 〈1 1 0〉 directions parallel. On Ni(1 0 0) the MEIS blocking curves cannot be reconciled with a single orientation of NiO(1 0 0) (with the 〈1 1 0〉 directions parallel) on the surface, but is consistent with the substantial orientational disorder (including tilt) previously identified by spot-profile analysis LEED.     

Potential-dependent structure of the interfacial water on the gold electrode

Doubly tunable sum frequency generation (SFG) spectra demonstrate that the water molecules at gold/electrolyte interface change their orientation with applied potential. At negative potentials, water molecules in the double layer align with their oxygen atom pointing to the solution. As potential became positive to be close to the potential of zero charge (PZC), the SFG signal decreased, suggesting the OH groups of the water molecule are either in random orientation or parallel to the electrode. As potential became more positive than the PZC, the SFG signal increased again with the oxygen-up orientation as same as in the negative potential region, indicating that water molecules interact with the adsorbed sulfate anions. The peak position of the SFG spectra indicates a relatively disordered state of water molecules at the gold electrode surface, in contrast to the previously observed ice-like structure of water at electrolyte/oxide interfaces.     

First-principles study of indium on silicon (1 0 0)—the structure, defects and interdiffusion

The atomic structures of indium (In) on silicon (Si) (1 0 0)-(2 × 1) surface are investigated by the local density approximation using first-principles pseudopotentials. Total energy optimizations show that the energetically favored structure is the parallel ad-dimer model. The adsorption energy of In on ideal Si(1 0 0)-(1 × 1) surface is significantly higher than that on reconstructed Si(1 0 0)-(2 × 1) surface, suggesting that In adsorption does not break the Si-Si dimer bond of the substrate. When Si surface contains single dimer vacancy defects, In chain will be interrupted, leading to disconnected In nanowires. Displacive adsorption of In on Si(1 0 0) is also considered, and the calculation suggests that interdiffusion of In into Si substrate will not be favorable under equilibrium conditions.     

Three-dimensional structure of the calcite-water interface by surface X-ray scattering

The three-dimensional structure of the calcite (104)-water interface has been determined with surface X-ray scattering. Nine crystal truncation rods (including specular and non-specular rods) were measured providing both vertical and lateral sensitivity to the interfacial structure. The results reveal that calcite is nearly ideally terminated with a single surface hydration layer that includes two inequivalent water molecules having distinct heights of 2.3 ± 0.1 and 3.5 ± 0.2 Å, each with a well-defined lateral registry with respect to the calcite surface. No additional layering of water is observed beyond this surface hydration layer. Small displacements in the outer two calcium carbonate layers were also observed. These results are compared with previous experimental and computational results.     

Three Dimension Simulation of Millimeter Wave Double Staggered Coupled Cavity Structure

After analyzed the cavity field mean method theory resolution, the software simulation method to obtain the resonance frequency, Q value and RF dispersion by MAFIA and ANSYS software is discussed for the double staggered coupled cavity Millitron structure in the millimeter-wave TWT. The resonance frequency and Q value of the single cavity is obtained and is consistent with two kind of the simulation software. Their average error is about 0.6%. The two kind of the simulation result is consistent to the design precise. The simulation method saves on the cost and time in the experiment, improve the data precise and work efficiency. The trend of the dispersion simulation result is consistent with the cavity field mean method theory result. The high end of the theory result is great contrast to that of MAFIA result. It shows that the theory adopt some hypothetical conditions, But the theory result has some instructional signification in initialization design of the novel slow wave structure.     

Photoluminescence linewidth broadening due to alloy/thickness fluctuation of CdxZn1 − xSe/ZnSe triple quantum wells

Photoluminescence (PL) linewidth broadening of Cd_xZn_{1 − x}Se/ZnSe triple quantum wells, grown on GaAs substrates by molecular beam epitaxy (MBE), has been investigated. Various quantum well (QW) samples have been prepared with different QW thickness and composition (Cd-composition). Measured and calculated PL linewidth are compared. Both composition and thickness fluctuations are considered for the calculation with the parameters such as the volume of exciton, nominal thickness and composition of QWs. Surface roughness measured by atomic force microscopy (AFM) is used to estimate the interface roughness. Results show that when Cd-composition increases additional linewidth broadening due to Zn/Cd interdiffusion is enhanced.     

类锂离子C^3＋激发态（1s^2 2p）^2P光电离的计算

文中首次运用R—矩阵方法，在三态密耦近似下计算了类锂离子C^3 激发态(1s^2 2p)^2P光电离截面，主要给出了不同过程和不同分波的光电离截面。计算结果显示了光电离过程中非常丰富的Rydberg系列共振结构。     

基片温度对坡莫合金薄膜结构和磁电阻的影响

用磁控溅射方法制备了系列坡莫合金Ni80Fe20薄膜。利用X射线衍射、扫描电子显微镜和原子力显徽镜分析了薄膜的结构、晶粒取向、薄膜厚度、截面结构和表面形态。用4点探测技术测量了薄膜的电阻和磁电阻。结果表明：随衬底温度的升高，晶粒明显长大。膜内的缺陷和应力显著减小，而且增强了薄膜晶粒的[111]择优取向。结果表明，薄膜电阻率显著减小，而磁电阻显著增大。     

Pb2+对α-淀粉酶活性的影响及其光谱学研究

在α 淀粉酶介质中加入Pb2 ,通过光谱学手段研究Pb2 对α 淀粉酶活性影响的作用机理。结果表明低浓度的Pb2 对酶有激活作用 ,高浓度则严重抑制酶活性。在高浓度下 ,Pb2 能完全竞争出α 淀粉酶中的Ca2 而结合到了α 淀粉酶上 ,其EXAFS的测试表明Pb2 与氨基酸残基上的羧基氧发生了配位 ,配位数为 2 ,Pb—O键长为 0 2 34nm。圆二色 (CD)谱测试表明 ,高浓度的Pb2 结合使α 淀粉酶的二级结构被破坏 ,α 螺旋含量、β 转角及无规则卷曲大量下降 ,β 折叠、二硫键含量大量增多 ,Pb2 的这种完全结合致使酶的构象改变 ,形成无效的酶 Pb2 底物复合物 ,因而使酶失去活性。     

超分辨近场结构技术及其应用

超分辨近场结构(Super RENS)技术是在传统的超分辨光盘技术和近场光学的基础上发展起来的新技术。介绍了Super RENS技术的基本原理:利用掩膜层的非线性效应或表面等离子体增强效应,在近场区域可以记录、读出超过衍射极限的信号。综述了该技术在纳米光信息存储和光刻方面应用研究的最新进展,提出了存在的问题,展望了它的发展前景。