周期性纳米洞内边缘氧饱和石墨烯纳米带的电子特性

利用基于密度泛函理论的第一性原理方法,研究了内边缘氧饱和的周期性凿洞石墨烯纳米带（G NR）的电子特性. 研究结果表明：对于凿洞锯齿形石墨烯纳米带（ZGNRs）,在非磁性态时不仅始终为金属,且金属性明显增强;反铁磁态（AFM）时为半导体的ZGNR,凿洞后可能成为金属;但铁磁态（FM）为金属的ZGNR,凿洞后一般变为半导体或半金属. 而对于凿洞的扶手椅形石墨烯（AGNRs）,其带隙会明显增加. 深入分析发现：这是由于氧原子对石墨烯纳米带边的电子特性有重要的影响,以及颈次级纳米带（NSNR）及边缘次级纳米带（ESNR）的不同宽度及边缘形状（锯齿或扶手椅形）能呈现出不同的量子限域效应. 这些研究对于发展纳米电子器件有重要的意义. 关键词： 石墨烯纳米带 纳米洞 内边缘氧饱和 电子特性     

Synthesis of poly(isobutyl‐co‐2,2,2‐trifluoroethyl methacrylate) with 5,10,15,20‐tetraphenylporphinato platinum(II) moiety as an oxygen‐sensing dye for pressure‐sensitive paint

Pressure‐sensitive paint (PSP), which consists of luminescent molecules embedded in an oxygen‐permeable polymer, has been developed for use in wind‐tunnel experiments. To improve the PSP technique, a novel luminescent methacrylate monomer, 5‐[4‐(2‐methacryloyloxyethoxycarbonyl)phenyl]‐10,15,20‐triphenylporphinato platinum(II), was synthesized and copolymerized with isobutyl methacrylate and 2,2,2‐trifluoroethyl methacrylate to produce a dye‐pendant copolymer ( 2 ). The introduction of 5,10,15,20‐tetraphenylporphinato platinum(II) (PtTPP) dye into 2 was confirmed by ultraviolet–visible spectroscopy and extended X‐ray absorption fine structure measurements. The extent of PtTPP dye incorporation in 2 was proportional to the molar fraction of the PtTPP‐pendant methacrylate monomer in the feed. The oxygen‐sensing property of 2 was compared with that of a PSP consisting of PtTPP dye embedded in poly(isobutyl‐co‐2,2,2‐trifluoroethyl methacrylate). Although the simple mixture of PtTPP and poly(isobutyl‐co‐2,2,2‐trifluoroethyl methacrylate) showed a marked deviation from a single Stern–Volmer relation, novel copolymer 2 gave a highly linear Stern–Volmer plot. This was unequivocal evidence of dye conjugation on the oxygen‐sensing polymer film. © 2005Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 2997–3006, 2005     

On the positive almost periodic type solutions for some nonlinear delay integral equations

In this paper, we discuss the existence of positive almost periodic type solutions for some nonlinear delay integral equations, by constructing a new fixed point theorem in the cone. Some known results are extended.     

增益饱和在整形放大啁啾脉冲中的作用

根据线性啁啾脉冲的特点，利用增益介质的受激发射谱特性，及脉冲在饱和放大时的放大特点，从理论上提出一种获得强度分布前后沿对称放大啁啾脉冲输出的方法，并利用数值模拟对该方法的可行性进行了研究，具体给出了在利用该种方法产生强度前后沿对称的放大啁啾脉冲输出时，应该遵循的部分规律。     

双曲型方程具有奇性斜导数的混合问题<英>

本文讨论了2m阶双曲型方程具有奇性斜导数的边值问题。在边界奇点(即不满足Lopatinsky边界条件的点)子流形的一定假设下,证明了所论问题在Sobolev空间H~(s,s)(Q)中解的存在性和唯一性,从而将二阶双曲方程的相应问题的已有的结果(例如[1]、[4—6])推广到了高维的情形。     

Surface energies of hematite faces and heats of oxygen adsorption: calculations by modified semiempirical interacting bonds method

Modified semiempirical Interacting Bonds Method in the slab approximation with due regard for relaxation after free surface formation was used to calculate surface energies and heats of oxygen adsorption for various faces of hematite. The results obtained explained faceting of some faces after high-temperature annealing and formed bases for analysis of the structure sensitivity of CO oxidation reaction catalyzed by oxides with corundum-type structures.     

Interference of tributyltin(IV)chloride on the vascular plant cells

In the recent past years, interest in the environmental impact of organotin(IV) compounds has risen markedly. Considering that most data in the scientific literature refers to the animal kingdom and not to higher plants cells, we tested the effects of organotin compounds on vascular plant cells, by studying the interaction of tributyltin chloride (TBTCl) with Allium cepa, Solanun tuberosum and Solanum melongena, vascular plants that are directly involved in the human food chain. The TBTCl effects on mitotic metaphase plates, on pollen grains and on both microtubers and adult tuber parenchymatic cells were investigated and the concentrations of TBTCl inside the treated parenchymatic cells were determined through ICP‐mass spectrometry. Oxygen and chlorophyll productions were also determined. The obtained results showed that TBTCl influenced not only morphology, but also the physiology of the vegetable cells since, despite the low concentrations used, the stress the cells were submitted to was experimentally confirmed. Moreover, the increase in the tin concentration in the cells, with increasing incubation time, showed that TBTCl possesses a very high capacity to be bioaccumulated and, as a consequence, it is able to enter the food chain. Copyright © 2006 John Wiley & Sons, Ltd.     

Navier－Stokes方程的变网格非协调有限元法

本文通过所谓的速度－压力型公式讨论了Ｎａｖｉｅｒ－Ｓｔｏｋｅｓ方程的变网格非协调有限元逼近，得到了在确定模意义下的速度、压力误差估计，且在一定条件下，某些误差估计能达到最优。     

Lifting,superadditivity, mixed integer rounding and single node flow sets revisited

In this survey we attempt to give a unified presentation of a variety of results on the lifting of valid inequalities, as well as a standard procedure combining mixed integer rounding with lifting for the development of strong valid inequalities for knapsack and single node flow sets. Our hope is that the latter can be used in practice to generate cutting planes for mixed integer programs. The survey contains essentially two parts. In the first we present lifting in a very general way, emphasizing superadditive lifting which allows one to lift simultaneously different sets of variables. In the second, our procedure for generating strong valid inequalities consists of reduction to a knapsack set with a single continuous variable, construction of a mixed integer rounding inequality, and superadditive lifting. It is applied to several generalizations of the 0–1 single node flow set. This paper appeared in 4OR, 1, 173–208 (2003). The first author is supported by the FNRS as a chercheur qualifié. This paper presents research results of the Belgian Program on Interuniversity Poles of Attraction initiated by the Belgian State, Prime Minister’s Office, Science Policy Programming. The scientific responsibility is assumed by the authors.     

运用有限振荡核方法提高正线性算子的逼近阶

为改造正线性算子以提高其逼近阶，本文利用有限振荡核方法，从常见的Ｆｅｊｅｒ算子出发，构造出一种莼性多项式算子Ｌｎ＾（ｍ）（ｆ；ｘ），称Ｆ－Ｂ算子，它的表达式具有良好的递推性能；通过对其收敛性和饱和性的讨论，证得Ｆ－Ｂ算子对充分光滑函数的逼近阶可达Ｏ（１／ｎ＾２ｍ＋１），优于Ｂｕｔｚｅｒ与Ｓｔａｒｋ的结果（Ｏ（１／ｎ＾４）），并包含Ｂａｓｋａｋｏｖ的结果（Ｏ（１／ｎ＾３）与Ｏ（１／ｎ＾５））为其特例