金刚石附氢(100)面脱氢势垒的量子化学研究

采用MNDO（UHF）方法计算了金刚石（100）－（1×1）：2H双氢化表面和（100）－（2×1）：H单氢化表面的脱氢势垒，论证了决定金刚石附氢表面脱氢势垒大小的主要因素是气相－表面吸附氢原子间的相互排斥大小，得出（100）面两种表面结构脱氢势垒的理论预言值分别为71和59kJ·mol-1，均大于（111）面脱氢势垒的理论预言值42kJ·mol-1．揭示了在同等生长条件下金刚石（111）面可供成核和生长的反应基多于（100）面，与实验上得到的同等生长条件下（111）面的相对生长率大于（100）面的结论是一致的。     

Preparation of a pinhole-free Pd–Ag membrane on a porous metal support for pure hydrogen separation

A pinhole-free palladium membrane with a thickness of 3 μm has been prepared on the surface of a porous sintered stainless steel tube coated with a thin silver layer as a diffusion barrier. Filling of aluminum hydroxide gel in the surface pores of the tube is effective in preventing defect formation during electroless plating of the palladium layer, while the volume of the hydroxide beneath the membrane decreases greatly upon thermal treatment up to 500 °C. The hydrogen flux at 400–500 °C is reasonably proportional to the pressure difference between the two sides of the membrane. Addition of a 2 μm Pd_0.8Ag_0.2 alloy layer on the membrane by electroplating does not greatly decrease the hydrogen permeability.     

Temperatures in Dielectric Barrier Gas Discharges for Surface Treatment

Optical emission spectroscopy is an optical non‐destructive method with which the temperature of the heavy particles (atoms, molecules, and ions) and the vibration temperature is determined in an air plasma torch and in an atmospheric nitrogen dielectric barrier parallel plate discharge. The two temperatures are measured to obtain an estimation of the deviation from local thermal equilibrium and to compare the two plasma source configurations which are used for surface treatment. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Effects of the Ehrlich-Schwoebel potential barrier on the Wolf-Villain model simulations for thin film growth

Wolf-Villain (WV) model is a simple model used to study ideal molecular beam epitaxy (MBE) growth by using computer simulations. In this model, an adatom diffuses instantaneously within a finite diffusion length to maximize its coordination number. We study statistical properties of thin films grown by this model. The morphology of the WV model is found to be kinetically rough with a downhill particle diffusion current. In real MBE growth, however, there are additional factors such as the existence of a potential barrier that is known as the Ehrlich-Schwoebel (ES) barrier. The ES barrier is an additional barrier for an adatom that diffuses over a step edge from the upper to a lower terrace which is known to induce an uphill particle current. We found that with the addition of the ES barrier, the WV-ES model morphology is rough with mound formation on the surface when the barrier is strong enough. To confirm these results, the correlation function is also studied. We find no oscillation in the correlation function in the WV model. For the WV-ES model, the correlation function oscillates. These results confirm that a strong enough ES barrier can cause mound formation on the WV surface in our study.     

Two-colour phosphor thermometry for surface temperature measurement

Thermographic phosphor thermometry enables surface temperatures to be measured over a wide range extending from sub 0 °C to in excess of 1400 °C by utilising the temperature-dependent luminescent properties of lanthanide-doped ceramics. The technique is particularly advantageous where surface temperatures are high due to the difficulty in applying conventional techniques and is therefore particularly well suited to the study of surface temperatures and heat transfer in gas turbines. The paper describes a two-colour implementation of the technique based on the intensity ratio of emissions from two distinct lines in the spectrum. An imaging system based on a single CCD camera has been developed and is described as are the image processing routines. YAG:Dy and YSZ:Dy phosphors were calibrated over a temperature range from 300 to 900 K with a repeatability in the data of around ±0.6%. The response of the phosphors and the performance of the imaging system were demonstrated in a transient heating/cooling study of ceramic and metallic plates.     

Ru/WCoCN as a seedless Cu barrier system for advanced Cu metallization

The properties of Ru(5 nm)/WCoCN(5 nm) stacked layers as a seedless Cu barrier system has been investigated. Its barrier properties compared to single 10 nm Ru film were investigated by sheet resistances, X-ray diffraction patterns, transmission electron microscopy, energy dispersive spectrometry spot analysis, line scans, and leakage currents. Thermal stability of the Ru(5 nm)/WCoCN(5 nm) improved by over 100 °C than that of Ru(10 nm) barrier. The results show that Ru(5 nm)/WCoCN(5 nm) can effectively block Cu diffusion up to 600 °C for 30 min. The Ru(5 nm)/WCoCN(5 nm) bilayer is a great Cu barrier candidate for seedless Cu interconnects.     

Neutron flow or collective degrees of freedom for near barrier heavy-ion fusion

Various models have been proposed in order to understand the near barrier heavy-ion fusion data. Amongst others the coupled channel approach of Dasso and Landowne and the neutron flow picture of Stelson are two of the mechanisms which describe well a large body of near barrier fusion data. From an analysis of¹⁶O induced fusion reaction around the barrier for various targets an attempt has been made to identify which out of the above two mechanisms is more appropriate to explain these data.     

The impact of a dielectric barrier discharge on the catalytic oxidation of methane over Ni-containing catalyst

Methane oxidation with air was studied over a Ni-containing catalyst in a dielectric barrier discharge (DBD) at temperatures above 625 K. The DBD increases the methane conversion and shifts the process towards partial oxidation. This effect is related to a catalyst heating by the discharge. This revised version was published online in August 2006 with corrections to the Cover Date.     

Internal rotation in enaminonitriles: Investigation by dynamic NMR spectroscopy and molecular modeling

Rotational isomerism in enaminonitriles was studied using dynamic NMR spectroscopy and molecular modeling. It was found that the barrier to rotation about C_vinyl-NH bond was higher for enaminonitriles derived from aliphatic amines than that of enaminonitriles derived from aromatic amines. It was also found that the rotational isomerism about the C_ar-C_vinyl bond also exists in enaminonitriles.