Preparation of nanosized ZnO using α brass

Nanosized ZnOs were synthesized on the surface of α brass coated a film of nickel catalyst at 500-700 °C under atmosphere of O₂ and CH₄ gases. The nanosized ZnOs have shapes including pillar, leaf, sheet and rod, which were determined by the synthesis temperature and the flow rates of O₂ and CH₄ gases. The nanosized ZnOs were characterized by electron microscopy including transmission electron microscope for crystal structure, morphology and high resolution images, both field emission scanning electron microscope and scanning electron microscope for morphology, and energy dispersive X-ray spectroscope equipped in electron microscope for chemical composition. A mechanism was proposed for the growth of nanosized ZnO obtained in this work.     

High sensitivity cavity ring down spectroscopy of CO2 overtone bands near 790 nm

The dyad bands of near 790 nm have been recorded with a continuous-wave cavity ring-down spectrometer. Two cold bands and the two associated hot bands are observed in this region. High sensitivity of the 1×10⁻¹⁰/cm level allows one to detect weak transitions with satisfied accuracy. The absolute line intensities have also been retrieved with an estimated accuracy of 2% for majority of the unblended lines. The vibrational transition dipole moment squared values and the empirical Herman-Wallis coefficients are presented for two cold bands. The comparison of the retrieved line positions and intensities with those given in the Carbon Dioxide Spectroscopic Databank shows clear deviation and indicates the empirical calculation can be further improved using the present spectroscopy data.     

Luminescence in GaN co-doped with carbon and silicon

GaN samples, containing various concentrations of carbon and doped intentionally with silicon, have been grown heteroepitaxially on sapphire using metal-organic-chemical-vapor deposition. Previous electrical and optical data, together with Density Functional calculations, have suggested that carbon is incorporated at acceptor and donor substitutional sites in this material; the relative importance of each is determined by the Fermi level position and the growth conditions. Here the luminescence behavior of these materials is examined in more detail, including spectral, temperature, and time dependences under ultraviolet light and electron beam excitation conditions. Particular attention is given to the commonly observed “yellow band” at , a blue luminescence at seen only in samples where carbon is the majority dopant, and ultraviolet bands near . Our data suggest that the latter two bands are both donor-acceptor related with the final state being the negatively charged state of a carbon atom substituting for nitrogen. In samples where carbon is the majority dopant, extended luminescence excitation at low temperatures results in large changes in the brightness of the yellow and blue luminescence bands. These effects are similar to other recent observations of luminescence metastability in high resistivity GaN, and we suggest that carbon plays a crucial role in this phenomenon.     

碳原子线的电子传输特性

单分子电子器件的电子传输特性是当前分子电子学领域研究的热点.本文采用第一原理的ab inito法与格林函数方法,对Au电极-碳原子线-Au电极体系的电子结构以及电子传输等特性进行了分析,给出了C5、C10与C15原子线的电导 -电压曲线与伏安曲线.研究结果表明:碳原子线与Au电极之间的"接触"(结合)既有共价键的成分,又有离子键的成分;碳原子线的电导率及伏安特性具有特殊的量子效应和尺寸效应.     

Cluster and periodic DFT calculations of adsorption and activation of CO2 on the Cu(hkl) surfaces

The adsorption behavior and thermal activation of carbon dioxide on the Cu(1 1 1), Cu(1 0 0), and Cu(1 1 0) surfaces have been investigated by means of density functional theory calculations and cluster models and periodic slabs. According to the cluster models, the optimized results indicate that the basis set of C and O atoms has a distinct effect on the adsorption energy, but an indistinct one on the equilibrium geometry. For the CO₂/Cu(hkl) adsorption systems studied here, the final structure of adsorbed CO₂ is near linear and the preferred modes for the adsorption of CO₂ onto the Cu(1 1 1), Cu(1 0 0), and Cu(1 1 0) surfaces are the side-on adsorption at the cross bridge site with an adsorption energy of 13.06 kJ/mol, the side-on adsorption at the short bridge site (13.54 kJ/mol), and the end-on adsorption on the on-top site with C–O bonds located along the short bridge site (26.01 kJ/mol), respectively. However, the calculated adsorption energies from periodic slabs are lower as compared to the experimental data as well as the cluster model data, indicating that the periodic slab approach of generalized gradient approximation in the density function theory may be not suitable to obtain quantitative information on the interaction of CO₂ with Cu(hkl) surfaces.     

Real-time visualisation of deformation fields using speckle interferometry and temporal phase unwrapping

A real-time system for analysing data from speckle interferometers, and speckle shearing interferometers, has been developed. Interferograms are continuously recorded by a digital camera at a rate of 60 frames s⁻¹ with temporal phase shifting carried out at the same rate. The images are analysed using a pipeline image processor. With a standard 4-frame phase-shifting algorithm (phase steps of π/2), wrapped phase maps are calculated and displayed at 15 frames s⁻¹. These are unwrapped using a temporal phase unwrapping algorithm to provide a real-time colour-coded display of the relevant displacement component. Each camera pixel (or cluster of pixels) behaves in effect as an independent displacement sensor. The reference speckle interferogram is updated automatically at regular user-defined intervals, allowing arbitrarily large deformations to be measured and errors due to speckle decorrelation to be minimised. The system has been applied to the problem of detecting sub-surface delamination cracks in carbon fibre composite panels.     

微通道板电子透射膜工艺的AES研究

用冷基底溅射方法和静电贴膜方法分别在微通道板表面制备了电子透射膜,采用俄歇电子能谱(AES)研究了两种工艺制备的微通道板电子透射膜的薄膜成分,微通道板电子透射膜工艺失败微通道板通道表面的成分和通道内壁的成分随深度的变化. 结果表明,冷基底溅射方法制膜工艺的失败对MCP造成了严重的碳污染,污染的MCP不可回收;静电贴膜方法制膜工艺的失败对MCP通道表面没有明显影响,MCP可回收利用.     

非色散红外吸收法测定地表水和废水中的总有机碳

用燃烧氧化 -非色散红外吸收法测定了杭州市辖区内的地表水、污水处理厂排水和不同行业工业废水中的总有机碳 (TOC)。结果表明 ,本法检出限为 0 .3mg/ L ,对于 TOC浓度在 6 .1— 12 0 mg/ L范围内水样的测定 ,相对标准偏差在 1.3%— 10 %之间。     

高频红外吸收法测定钛合金中的碳

应用高频红外碳硫仪测定钛合金中碳的含量。对助熔剂、称样量、比较水平等测定条件进行了优化研究。方法快速、简便 ,具有良好的精密度和准确度 ,结果满意     

小碳团簇结构的从头算分子动力学模拟

引入第一原理密度泛函理论, 即赝势密度泛函在实空间的有限差分方法和朗之万分子动力学退火技术, 对碳团簇Cn(n=2-8)的基态结构进行了理论计算, 所得结果与其他作者的计算结果及实验数据吻合较好.