Dissociative Chemisorption of an H2（v,j） Molecule on Rigid Ni （100） Surface： Dependence on Surface Topologies and Initial Rovibrational States of the Molecules

The H2(v,j) Ni(100) collision system has been studied to understand the effects of the surface sites and initial rovibrational states of the molecule on molecule-surface interactions, by a quasiclassical molecular dynamic simulation method. Dissociative adsorption of an H2 molecule on the rigid Ni(100) surface is investigated at topologically different three sites of the surface. Interaction between the molecule and Ni surface was described by a London-Eyring-Polani-Sato (LEPS) potential. Dissociative chemisorption probabilities of the H2(v, j) molecule on various sites of the surface are presented as a function of the translation energies between 0.001-1.0eV. The probabilities obtained at each collision site have unique behaviour. At lower collision energies, indirect processes enhance the reactivity, effects of the rotational excitations and impact sites on the reactivity are more pronounced. The results are compared with the available studies. The physical mechanisms underlying the results and quantum effects are discussed.     

Theoretical Analysis of Characteristics of GaxInl—x NyAsl—y／GaAs Quantum Well Lasers with Different Intermediate Layers

Based on the band anticrossing model, the effects of the strain-compensated layer and the strain-mediated layero n the band structure, gain and differential gain of GalnNAs/GaAs quantum well lasers have been investigated. The results show that the GaNAs barrier has a disadvantage in increasing the density of states in the conduction band. Meanwhile, the multilayer quantum wells need higher transparency carrier density than the GalnNAs/GaAs single quantum well with the same wavelength. However, they help to suppress the degradation of the differential gain. The calculation also shows that from the viewpoint of band structure, the strain-compensated structure and the strain-mediated structure have similar features.     

A New Triterpene from the Orchid Pholidota yunnanensis

A new triterpene, 25-methylenecyclopholidonyl p-hydroxy-trans-cinnamate, was isolated from a orchid Pholidota yunnanensis. The structure elucidation and ^1H, ^13C-NMR assignments were achieved by spectral and chemical method.     

Synthesis and Photochemical Properties of a New Substituted Phenol Covalently Linked to Ruthenium （Ⅱ） Tris-bipyridine Containing Four Ester Groups as Sensitizer

As photosensitizer for solar cell, a new ruthenium (Ⅱ) complex with four ester groups had been synthesized, in which a phenol substituted by {[(2-hydroxy-5-tert-butylbenzyl)(pyridyl-2-methyl)amino]methyl} is covalently linked to ruthenium (Ⅱ) tris-bipyridine. The structures of the new compounds were confirmed by NMR and ESI-MS spectra. The electrochemical and photochemical properties were also studied.     

Solid Phase Synthesis of 2-Substituted 1,3-Oxazin-6-ones Using Resin-bound Cyclic Malonic Acid Ester

A facile solid phase synthesis of 2-substituted 1,3-oxazin-6-ones using polymer-supported Meldrum‘s acid has been reported. Reaction of the resin-bound cyclic malonic acid ester with triethyl orthoformate and subsequent double substitution with amide, afforded the corresponding polymer-supported acylaminomethylene cyclic malonic acid ester, which upon thermal treatment led to 1, 3-oxazin-6-ones in good yields and with high purity.     

Microwave-promoted Palladium Catalyzed Suzuki Cross-coupling Reaction in WaterI

A simple, rapid and environmental friendly method for the synthesis of biaryl compounds under microwave irradiation is reported.     

镍中氢与缺陷互作用的正电子寿命和多普勒展宽研究

采用正电子寿命和多普勒展宽技术研究了退火、回复及冷轧镍中氢与缺陷的互作用．结果表明：冷轧镍充氢后正电子平均寿命和多普勒展宽S参数上升，并且寿命谱的两成分拟合出现一个390ps的长寿命分量；而退火及回复镍充氢后正电子平均寿命和多普勒展宽S参数均不改变．因此认为冷轧镍充氢后正电子参数（平均寿命和S参数）的上升取决于氢和空位的互作用，与氢和位错的互作用无关；氢空位对也可以作为聚集空位的核心 关键词：     

混合稀土EuBaCuO体系的高温超导电性研究

本报道了采用三种不同含量的混合稀土Ｅｕ２Ｏ３（Ｅｕ２Ｏ３的含量分别为７０％，７９．９８％，９０％）为原料，利用固态反应法制备混合稀土Ｅｕ－Ｂａ－Ｃｕ－Ｏ体系超导体样品的工艺；给出了高温超导电性测量和Ｘ射线粉末衍射及扫描电镜分析结果。