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.     

金湘军

金湘军,中共党员,工学硕士。现任中共玉林市委副书记,玉林市市长。1983年入成都电讯工程学院计算机科学专业学习,获工学学士学位。1987年入成都科技大学工业管理工程专业学习,获工学硕     

让学生说题--化学课上培养思维能力的一项重要活动

1 问题的提出 解决化学问题是培养化学思维能力、深化学生认知过程的一个重要环节.传统教学中,不论是随堂练习,还是课后作业,总是一种模式:学生做,教师评讲.固然,通过解题,可以复习巩固所学知识,掌握一些解题方法,但是笔练往往不能反映学生的思维过程(学生对题目中的知识出点、题型结构、条件到问题的关系等等的认知情况),选择、填空等类型题更是如此;同时,解题时,学生一般都独立思考,缺少相互间的讨论、交流和提高的机会,不少学生会因某一处卡壳而使思维中断.     

走近纳米科技

 纳米科技于20世纪70年代兴起,进入21世纪越来越被大家耳熟。纳米科技在促进科技进步,提高社会文明程度,改善人类生存质量,更新对物质世界的认知及观念上扮演了举足轻重的角色。纳米是长度单位。一纳米为一米的十亿分之一,如果你的拇指指甲盖宽14毫米,这个比例就相当于拇指指甲盖宽度与地球直径间的比例。纳米科技所接触、研究、开发的是100纳米～0.1纳米范围内物质的性质和应用。一个分子或一个原子大小的数量级大致在10纳米。因此,纳米科技也可以说是在分子水平上观察、分析、研究物质的物理、化学性质并加以开发利用。     

Theoretical Study on the Rotational Bands and Shape Coexistence of^179，181，183Au in the Particle-Triaxial-Rotor Model

We perform a series of theoretical calculations and investigation for nuclei 179，181，183Au in the particle-triaxialrotor model with variable moment of inertia. The calculated energy spectra in^179,181,183Au agree well with the experimental data globally. The obtained results indicate that the nuclei^179,181,183Au have prolate deformation and involve shape coexistence with different deformation parameters in different bands. The main configuration of bands 1, 2, 3 and 5 in these nuclei are identified as [541]1/2^- (πh9/2, α = 1/2), [541]1/2- (πh9/2, α= -1/2),[530] 1/2- (πf7/2) and [660] 1/2^ (πi13/2), respectively.     

分子和金表面相互作用的第一性原理研究

从第一性原理出发利用密度泛函理论研究了 4 ,4′ 二巯基联苯分子和金表面的相互作用 ,并利用了前线轨道理论和微扰理论定量地确定了该相互作用能常数. By using density functional theory, we have investigated the interaction between a thiol-phenyl molecule (4-4′-dimercaptodibenzene) and a gold surface. The frontier orbit theory and the perturbation theory are also employed to determine quantitatively the constant of interaction energy. The results show that the bonding between the sulfur atom and the gold atoms corresponds mainly to the covalent bond and some molecular orbits are extended over the molecule and gold cluster which certainly give channels...     

加工对难熔金属高应变速率行为的影响——评述

对结构难熔金属，如钨、钽、铪及其合金的高应变速率行为进行了评述。钨、钽及其合金有显著的速率敏感性，而铪很少有或没有速率敏感性。单晶及（１００）取向织构钨具有极佳延性，而（１１０）取向织构钨则以典型的脆性方式断裂。钨重合金（ＷＨＡ）具有中等延性，而且在高应变速率下发生应变局部化。钽具有中等到上等的延性但其变形高度依赖于初始加工织构。铪的延性极佳且在很宽的应变速率范围易于局部化。难熔金属的宏观高应变速     

金像电第二季小幅成长

电路板大厂金像电受惠于服务器与MP3大客户订单加温，第二季营运业绩可望小幅成长，将较首季成长5％至8％。