Ab initio study of sodium intercalation into metal oxides

Using the full-potential linearized augmented plane wave (FP-LAPW) method, we have studied the effect of chemistry on the average intercalation voltage (AIV) caused by the Na ions intercalating into transition metal oxides. The effect of transition metal was systematically studied by varying M=Co, Ni and Mn in NaMO₂ and fixing the α-NaFeO₂ layered structure. The effect of the guest atoms into the host material is discussed in terms of the structural and electronic properties. Comparatively to Li intercalation, a significant electron transfer towards transition metal was found. This observation suggests that the transition metal contribute to the AIV determination and confirms the common assumption that intercalated electron reduces M⁴⁺ to M³⁺.     

Nanostructured polymetallaynes of controlled length: Synthesis and characterization of oligomers and polymers from 1,1′‐bis‐(ethynyl)4,4′‐biphenyl bridging Pt(II) or Pd(II) centers

The reactivity of square planar palladium(II) and platinum(II) complexes in trans or cis configuration, namely trans or cis‐[dichlorobis(tributylphosphine)platinum(II)] and trans‐[dichlorobis(tributylphosphine)palladium(II)] with 1,1′‐bis(ethynyl) 4,4′‐biphenyl, DEBP, leading to π‐conjugated organometallic oligomeric and polymeric metallaynes, was investigated by a systematic variation of the reaction conditions. The formation of polymers and oligomers with defined chain length [? M(PBu₃)₂ (C?C? C₆H₄? C₆H₄? C?C? )]_n (n = 3–10 for the oligomers, n = 20–50 for the polymers) depends on the configuration of the precursor Pt(II) and Pd(II) complexes, the presence/absence of the catalyst CuI, and the reaction time. A series of model reactions monitored by XPS, GPC, and NMR ³¹P spectroscopy showed the route to modulate the chain growth. As expected, the nature of the transition metal (Pt or Pd) and the molecular weight of the polymers markedly influence the photophysical characteristics of the polymetallaynes, such as optical absorption and emission behavior. Polymetallaynes with nanostructured morphology could be obtained by a simple casting procedure of polymer solutions. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 3311–3329, 2007     

Modelling and optimal control of coupled structural acoustic systems with piezoelectric elements

We construct a model of a shell with piezoelectric elements (patches) that take into account the mutual influence of deformations and electric fields. Coupled problems for the shell with piezoelectric patches and an acoustic field, are studied and results on the existence and the uniqueness are obtained. For this system we consider an optimal control problem on noise attenuation and obtain results on the existence, the uniqueness, necessary and sufficient conditions of optimality. Copyright © 2003 John Wiley & Sons, Ltd.     

n维氢原子的散射态

研究了n维氢原子的散射态性质．给出了精确的按“k/2π标度”归一化的散射态的精确解波函数及相移表达式，讨论了相移的解析性质，获得了束缚-连续跃迁矩阵元的解析计算公式．普通氢原子(n=3)散射态的有关结果作为特例包含在本文的一般结论之中． 关键词： n维氢原子 散射态 精确解 相移 束缚-连续跃迁矩阵元     

Heavy metal ion uptake properties of polystyrene-supported chelating polymer resins

Metal ion uptake properties of polystyrene-supported chelating polymer resins functionalized with (i) glycine, (ii) hydroxy benzoic acid, (iii) Schiff base and (iv) diethanol amine have been investigated. The effects of pH, time and initial concentration on the uptake of metal ions have been studied. The uptake of metal ion depends on pH. The resins are more selective at pH 10 for Pb(II) and Hg(II), whereas at pH 6 they are found to be Cd(II) and Cr(VI) selective. Metal ion uptake properties of resins follow Freundlich’s equation. The resins are recyclable and are therefore employed for the removal of heavy metal pollutants from industrial waste water.     

O～3岁儿童微量元素检测及纠正150例观察与体会

对西安地区150例0～3岁儿童进行了六种微量元素：钙、锌、铜、铁、镁、硒的检测，发现微量元素缺乏可导致急慢性感染、免疫力低下、小儿营养不良、贫血、发育迟缓等症状。并对小儿营养不良、喂养不当进行矫正。其中铁、钙、锌同时缺乏占50％。     

Diene complexes of early transition metals: ideas and progresses at Osaka University

Historical perspectives for the chemistry of diene complexes of early transition metals developed at Osaka University in the period after 1970s were reviewed briefly and personally. Preparative chemistry of this field commenced from the magnesium-diene 1:1 compounds and quickly extended to almost all the early transition metals. By the studies operated together with other researchers, unique features of these diene complexes, especially their bonding and structure, selective reactions, and catalysis performances are described.     

SURFACE METALLIZATION OF CENOSPHERES AND PRECIPITATORS BY ELECTROLESS PLATING

This paper reports the use of a colloidal Pd^0 catalysis system to metallize the surface of precipitators separated from coal fly-ash, and metals such as Cu, Ni etc. are deposited on the precipitators surface. Alternatively, according to the characteristic surface of cenospheres, an Ag coating catalysis system is adopted to first deposit Ag on the cenospheres surface, followed, if necessary, by the deposition of other metals such as Cu, Ni, etc. on the Ag coating to produce monolayer and multilayer metal-coated cenospheres. The surface characteristics and the morphologies of the metal coatings are examined in detail with scanning electron microscopy (SEM), energy dispersive spectroscopy (EDX) and X-ray photoelectron spectroscopy (XPS) techniques. It can be shown that the quality of metal coatings derived from the Aa coatina catalysis system, is better than that of the colloidal Pd^0 catalysis system.     

Dispersion analysis of the least‐squares finite‐element shallow‐water system

The frequency or dispersion relation for the least‐squares mixed formulation of the shallow‐water equations is analysed. We consider the use of different approximation spaces corresponding to co‐located and staggered meshes, respectively. The study includes the effect of Coriolis, and the dispersion properties are compared analytically and graphically with those of the mixed Galerkin formulation. Numerical solutions of a test problem to simulate slow Rossby modes illustrate the theoretical results. Copyright © 2003 John Wiley & Sons, Ltd.