金属和非金属原子间协同效应调控气体小分子的吸附特性研究

采用基于密度泛函理论方法系统地研究了单个NO和CO小分子在非金属(B和N)与金属Ni原子共掺杂石墨烯(Bx-Ny-gra-Ni,x+y=0,1,2,3)表面的吸附特性,分析了吸附气体小分子的几何结构,吸附能,电荷转移量以及引起体系磁性变化等情况.研究结果表明：NO和CO倾向于吸附在Ni原子的顶位,B和N掺杂原子的数量和比例能够有效地调制小分子的吸附强度;与吸附的CO分子相比,Bx-Ny-gra-Ni表面吸附的NO分子能获得较多的电荷,进而表现出高的稳定性.此外,利用吸附的气体小分子与衬底间相互作用强度和灵敏性的差异、以及引起反应衬底的磁性变化将为设计石墨烯基气敏、催化和电子器件提供重要参考.     

A posteriori error estimates for optimal control problems governed by parabolic equations

Summary. In this paper, we derive a posteriori error estimates for the finite element approximation of quadratic optimal control problem governed by linear parabolic equation. We obtain a posteriori error estimates for both the state and the control approximation. Such estimates, which are apparently not available in the literature, are an important step towards developing reliable adaptive finite element approximation schemes for the control problem. Received July 7, 2000 / Revised version received January 22, 2001 / Published online January 30, 2002 RID="*" ID="*" Supported by EPSRC research grant GR/R31980     

Positive solutions of singular boundary value problem of negative exponent Emden—Fowler equation

This paper investigates the existence of positive solutions of a singular boundary value problem with negative exponent similar to standard Emden-Fowler equation. A necessary and sufficient condition for the existence of C[0, 1] positive solutions as well as C¹[0, 1] positive solutions is given by means of the method of lower and upper solutions with the Schauder fixed point theorem.     

Lower Bounds for the Height and Size of the Ideal Class Group in CM-Fields

 We prove that, under the assumption of the Generalized Riemann Hypothesis, the exponent of the ideal class group of a CM-field goes to infinity with its absolute discriminant. This gives a positive answer to a question raised by Louboutin and Okazaki [4]. Received September 10, 2001; in revised form April 5, 2002     

The speed of biased random walk on percolation clusters

 We consider biased random walk on supercritical percolation clusters in ℤ². We show that the random walk is transient and that there are two speed regimes: If the bias is large enough, the random walk has speed zero, while if the bias is small enough, the speed of the random walk is positive. Received: 20 November 2002 / Revised version: 17 January 2003 Published online: 15 April 2003 Research supported by Microsoft Research graduate fellowship. Research partially supported by the DFG under grant SPP 1033. Research partially supported by NSF grant #DMS-0104073 and by a Miller Professorship at UC Berkeley. Mathematics Subject Classification (2000): 60K37; 60K35; 60G50 Key words or phrases: Percolation – Random walk     

Localization transition of <Emphasis Type="Italic">d</Emphasis>-friendly walkers

 Friendly walkers is a stochastic model obtained from independent one-dimensional simple random walks {S ^k _j } _j≥0 , k=1,2,…,d by introducing ``non-crossing condition': and ``reward for collisions' characterized by parameters . Here, the reward for collisions is described as follows. If, at a given time n, a site in ℤ is occupied by exactly m≥2 walkers, then the site increases the probabilistic weight for the walkers by multiplicative factor exp (β _m )≥1. We study the localization transition of this model in terms of the positivity of the free energy and describe the location and the shape of the critical surface in the (d−1)-dimensional space for the parameters . Received: 13 June 2002 / Revised version: 24 August 2002 Published online: 28 March 2003 Mathematics Subject Classification (2000): 82B41, 82B26, 82D60, 60G50 Key words or phrases: Random walks – Random surfaces – Lattice animals – Phase transitions – Polymers – Random walks     

Dynamical localization for continuum random surface models

We prove Anderson localization and strong dynamical localization for random surface models in \mathbbR^d \mathbb{R}^d .     

The Solow model improved through the logistic manpower growth law

In this paper the neo-classical economic Solow-Swan model (1956) has been improved replacing its Malthusian manpower law with the Verhulst (logistic) one. The relevant ordinary differential equation for the ratio capital/work has been then integrated in closed form via the Hypergeometric function₂ F ₁. The logistic growth injection for the manpower is detected to induce a more slow dynamics onto the Solow-Swan system, which keeps its stability. Increasing developments are displayed as the technologic progress rises. Further sceneries are tested and the congruence of the new solution with the classical one is shown switching to zero the selflimitation coefficent in the logistic law. Research supported by MURST grant:Metodi matematici in economia     

OSCILLATORY SINGULAR INTEGRALS WITH VARIABLE ROUGH KERNEL,Ⅱ

Let n≥2. In this paper, the author establishes the L^2 (R^n)-boundedness of some oscillatory singular integrals with variable rough kernels by means of some estimates on hypergeometric functions and congqucnt hypergeometric funtions.