钙钛矿型复合氧化物LaNi_(1-x)Mn_xO_3晶体结构与催化性能的关系

用XRD、IR和TPR等技术研究了钙钛矿型复合氧化物的晶体结构及其反应性能.整个组成范围内,LaNi_(i-x)Mn_xO_3(0.0≤x≤1.0)体系都生成单一钙钛矿相;x=0.0,0.6≤X≤1.0时为菱形晶系,0.2≤x≤0.5为立方晶系.IR和TPR研究表明,晶体结构对B—O键合作用存在较大影响.CO微反考察表明,本体系的催化活性与晶系存在密切关系,晶体对称性越高,反应活性越低.说明钙钛矿型复合氧化物的催化活性与体系活性中心的B—O键合作用能力有关.     

A generalized preimage theorem in global analysis

The concept of locally fine point and generalized regular value of a C¹ map between Banach spaces were carried over C¹ map between Banach manifolds. Hence the preimage theorem, a principle constructing Banach manifolds in global analysis, is generalized.     

A Nonsmooth L-M Method for Solving the Generalized Nonlinear Complementarity Problem over a Polyhedral Cone

In this paper the generalized nonlinear complementarity problem (GNCP) defined on a polyhedral cone is reformulated as a system of nonsmooth equations. Based on this reformulation, the famous Levenberg-Marquardt (L-M) algorithm is employed to obtain its solution. Theoretical results that relate the stationary points of the merit function to the solution of the GNCP are presented. Under mild assumptions, we show that the L-M algorithm is both globally and superlinearly convergent. Moreover, a method to calculate a generalized Jacobian is given and numerical experimental results are presented.     

概率约束下最优解的统计影响函数

本文把稳健统计的影响函数概念引入到了概率约束下的随机规划模型中．在一定条件下,得到了三个模型最优解的影响函数表达式．     

碳纳米锥吸附Na的第一性原理计算

本文采用第一性原理计算结合从头算分子动力学的方法,研究了碳纳米锥(CNC)、B和N掺杂碳纳米锥(B-CNC和N-CNC)的稳定性,结果表明CNC、B-CNC和N-CNC均可以稳定存在.在此基础上分别研究了Na原子在CNC、B-CNC和N-CNC上的吸附行为.结果表明：1) Na原子在CNC五元碳环中心顶部位置的吸附最强,吸附能为-2.52 eV. CNC的能隙(Eg)为1.96 eV. 2) B和N掺杂CNC后,B-CNC和N-CNC的导电性均显著增强. 3)与CNC相比,Na原子在B-CNC上的吸附增强,而在N-CNC上的吸附则显著减弱.这表明B-CNC有望作为Na离子电池的负极材料.本文的研究结果对以CNC为负极材料的Na离子电池的研究提供了理论指导.     

幂函数叠加势的径向薛定谔方程的解析解

研究多种正幂势函数与逆幂势函数紧密耦合条件下薛定谔径向方程解析解的求解方法.对势函数为V（r）=α₁r⁸＋α₂r³+α₃r²+β₃r^-1＋β₂r^-3＋β₁r^-4的径向薛定谔方程存在解析解的条件以及精确的解析解进行了研究. 根据量子系统波函数必须满足单值、有界和连续的标准条件,首先求出径向坐标r→∞以及r→0时的渐近解,然后采用非正则奇点邻域附近的波函数级数解法与求得的渐近解相结合,通过幂级数系数比较法得到径向薛定谔方程在势函数系数紧密耦合条件下的一系列定态波函数解析解以及相应的能级结构,并作适当讨论与结论. 关键词： 级数解法 幂势函数 径向波函数 渐近解     

High-energy picosecond single-pass multi-stage optical parametric generator and amplifier

We demonstrate a new management of multi-stage optical parametric generator(OPG)and amplifier(OPA)to obtain high-energy picosecond sources with high beam quality.The setup of multi-stage OPG-OPA requires mode-matching between the pump beam and the stable mode of the OPG-OPA.In a proof-of-principle experiment,the single-pass multi-stage OPG-OPA consists of three walk-off compensated KTP crystal pairs and two lenses,pumped by an 86 ps,1064 nm 10 kHz picosecond laser.The signal light at~1.77μm has an average output power of 502 mW with record energy up to 50.2μJ.The beam quality factor of the signal light can be improved toM²_x ×M²_yafter filtering out about 40%signal power.To the best of our knowledge,it is the first picosecond single-pass multi-stage OPG-OPA pumped at kHz regime.     

咪唑类氮氧自由基的ESR波谱的酸度相关性-pH自旋探针应用研究之一

根据咪唑类氮氧自由基的结构特性合成了一系列的pH自旅探针,其ESR波谱参数均在一定范围内与介质的酸性呈明显的相关性.可望为较精确地测量化学胶束、细胞等微观体系的pH值开辟一个新的途径.本文研究了灵敏变化的pH范围与取代基的关系,得到了5种自旅探针的ESR参数-pH曲线、pKa值以及Hanmmett相关图,分析了如何通过改变取代基合成出不同pH变化范围并适用于不同生物和化学体系的pH自旅探针,最终达到付诸应用的目的.     

Interaction of light filaments in air

This paper analytically investigates the interaction of light filaments generated by a femtosecond laser beam in air. It obtains the Hamiltonian of a total laser field and interaction force between two filaments with different phase shifts and crossing angles. The property of the interaction force, which leads the attraction or repulsion of filaments, is basically dependent on the phase shift between filaments. The crossing angle between two filaments can only determine the magnitude of the interaction force, but does not change the property of the force.