Adsorption and dissociation of O2 on the Cu2O(1 1 1) surface: Thermochemistry, reaction barrier

The adsorption and dissociation of O₂ on the perfect and oxygen-deficient Cu₂O(1 1 1) surface have been systematically studied using periodic density functional calculations. Different kinds of possible modes of atomic O and molecular O₂ adsorbed on the Cu₂O(1 1 1) surface are identified: atomic O is found to prefer threefold 3Cu site on the perfect surface and O_vacancy site on the deficient surface, respectively. Cu_CUS is the most advantageous site with molecularly adsorbed O₂ lying flatly over singly coordinate Cu_CUS-Cu_CSA bridge on the perfect surface. O₂ adsorbed dissociatively on the deficient surface, which is the main dissociation pathway of O₂, and a small quantity of molecularly adsorbed O₂ has been obtained. Further, possible dissociation pathways of molecularly adsorbed O₂ on the Cu₂O(1 1 1) surface are explored, the reaction energies and relevant barriers show that a small quantity of molecularly adsorbed O₂ dissociation into two O atoms on the deficient surface is favorable both thermodynamically and kinetically in comparison with the dissociation of O₂ on the perfect surface. The calculated results suggest that the presence of oxygen vacancy exhibits a strong chemical reactivity towards the dissociation of O₂ and can obviously improve the catalytic activity of Cu₂O, which is in agreement with the experimental observation.     

The structure and expression of power group

With the application of the topological upgrade, more and more experts are interested in the problems concerning the mathematical structure’s upgrade to its power set. This paper is a further study on the structure and interrelationship of a power group. By revealing the nature of relationship between the power group and a regular one, the present paper proves some theorems of the structure of the power group and constructs some theorems on its homomorphism and isomorphism as well, proposing an expression form and isomorphism replacement construct methods of the power group.     

A Schwarz-Pick inequality for harmonic quasiconformal mappings and its applications

The main result of this paper is the sharp generalized Schwarz-Pick inequality for euclidean harmonic quasiconformal mappings with convex ranges, which generalizes a result given by Mateljevi?. As its applications, we obtain the property of quasi-isometry with respect to the Poincaré distance and an analogue of the Koebe theorem for this class of mappings.     

Topology of complete intersections

Let X _n (d) and X _n (d') be two n-dimensional complete intersections with the same total degree d. In this paper we prove that, if n is even and d has no prime factors less than , then X _n (d) and X _n (d') are homotopy equivalent if and only if they have the same Euler characteristics and signatures. This confirms a conjecture of Libgober and Wood [16]. Furthermore, we prove that, if d has no prime factors less than , then X _n (d) and X _n (d') are homeomorphic if and only if their Pontryagin classes and Euler characteristics agree. Received: September 6, 1996     

Homotopy formulas and\bar \partial -equation on localq-convex domains in Stein manifolds-equation on localq-convex domains in Stein manifolds

The homotopy formulas of (r, s) differential forms and the solution of $\bar \partial $ -equation of type (r, s) on localq-convex domains in Stein manifolds are obtained. The homotopy formulas on localq-convex domains have important applications in uniform estimates of $\bar \partial $ -equation and holomorphic extension of CR-manifolds.     

Empirical likelihood for median regression model with designed censoring variables

We propose a new and simple estimating equation for the parameters in median regression models with designed censoring variables, and then apply the empirical log likelihood ratio statistic to construct confidence region for the parameters. The empirical log likelihood ratio statistic is shown to have a standard chi-square distribution, which makes this method easy to implement. At the same time, another empirical log likelihood ratio statistic is proposed based on an existing estimating equation and the limiting distribution of the empirical likelihood ratio statistic is shown to be a sum of weighted chi-square distributions. We compare the performance of the empirical likelihood confidence region based on the new estimating equation, with that based on the existing estimating equation and a normal approximation method by simulation studies.     

Peristaltic transport in a slip flow

Continuum-mechanic derivation of the entrainment of rarefied gases induced by a surface wave along walls (or peristaltic transport) in a confined parallel-plane microchannel is conducted by the perturbation method. Both no-slip and slip flow cases are investigated with the former ones matched with the previous approach by Fung and Yih. Critical reflux values due to first order slip-flow effects become trivial for the free pumping case, and decrease due to second order slip-flow effects after we compared them with no-slip cases. Received 27 August 1999 and Received in final form 10 January 2000     

荧光材料Y_2O_3:Eu变温拉曼光谱分析

本文用显微拉曼谱仪在波长为785 nm的激光激发下,对Y2O3:Eu陶瓷在温度83-473 K间进行了系统的变温拉曼实验研究。实验发现Y2O3:Eu的一些振动模在低温下没有出现,只有当温度达到一定值之后才可以被观察到,分析表明这是由于温度变化引起的简并振动模式分裂。此外,Y2O3:Eu的拉曼峰位、半高全峰宽(FWHM)也是温度的非线性函数,且不同的拉曼峰遵循不同的函数关系,本文分析这是由于晶格的各向异性导致的。