Growth and characterization of model oxide catalysts

Oxide catalysts are frequently used to convert toxic species to environmentally benign molecules, and to prevent the formation of toxic species in the first place. In this paper, growth and characterization of model oxide systems employed in both approaches is discussed. An example of the former approach is the selective catalytic reduction (SCR) of NO emitted from power plants by NH₃, which employs tungsten and vanadium oxides supported on the anatase polymorph of TiO₂. To model SCR catalysts, epitaxial titanium, vanadium and tungsten oxide films were grown using molecular beam epitaxy and magnetron sputtering. Two different anatase orientations were grown on LaAlO₃ substrates and their interactions with vanadia were characterized. On LaAlO₃ (0 0 1), anatase exposed a (4 × 1) reconstructed (0 0 1) surface. Vanadia lifted the reconstruction and at 1 ML a (1 × 1) surface with mostly V⁵⁺ was observed. Continued V₂O₅ growth led to loss of order, but at high temperatures epitaxial VO₂ could be grown; vanadia behaved similarly on anatase films on LaAlO₃ (1 1 0). Results suggested that the monolayer is pseudomorphic with O adsorption oxidizing the surface V to 5+, since the anatase structure cannot accommodate more bulk oxygen, only a monolayer can be pseudomorphic and have only V⁵⁺. Thus the vanadia monolayer has unique structural and chemical properties that can help explain why vanadia monolayers on TiO₂ are much more active than bulk V₂O₅. For WO₃, a series of added row reconstructions were observed as the epitaxial films were reduced. The effect of these structures on surface chemistry was characterized by studying 1-propanol adsorption. The results indicated that the structure of the WO₃ surface did not alter its catalytic function but had a strong effect on reaction kinetics. As an example of a system where catalysts prevent the formation of toxic species, the reactivity of oxidized Pd surfaces used in CH₄ catalytic combustion were studied. An ordered PdO-like monolayer was found to be less reactive towards CO than adsorbed O on Pd. On the other hand, the PdO layer favored a lower activation energy C₃H₆ oxidation pathway. The results indicated that Pd oxidation reduces the sticking coefficient of reactive species but once molecules adsorb, the oxide surface can reduce the activation energy for subsequent reaction.     

Quadrupole interactions at 57Fe and 119Sn in 3d-metal antimonides

3d-metal antimonides: Fe_1+x Sb, N_+x Sb, Co_+x Sb and the (Ni_1?y Fe _y )Sb solid solution have been studied by the Mössbauer effect method at ⁵⁷Fe and ¹¹⁹Sn. It was found that the quadrupole interactions at the Fe and Sn nucleus in 3d-metal antimonides are very sensitive to the filling of different crystallographic sites with metal atoms. The metal atoms in trigonal-bipyramidal sites have a strong effect on the quadrupole splitting of ¹¹⁹Sn. They are nearest to anions (Sb or Sn) with the typical axial ratio of c/a = 1.25. The QS(x) dependence of ¹¹⁹ Sn in 3d-metal antimonides in the 0 ≤ x ≤ 0.1 concentration range can be used to determine x – the concentration of transition metal excess relative to the stoichiometric composition.     

Spectroscopic and X-ray diffraction study of high Tc epitaxial YBCO thin films obtained by pulsed laser deposition

We report spectroscopic characterization of epitaxial YBCO thin films grown on LaAlO₃ by pulsed laser deposition. Raman spectroscopy and spectroscopic ellipsometry were used for film characterization and the results were correlated with X-ray diffraction measurements. The mentioned techniques allowed us to analyze crystallographic, micro-structural, and morphological properties of YBCO thin films. We also demonstrated that relatively low resolution Raman spectroscopy and spectroscopic ellipsometry are reliable techniques for a rapid and non-destructive characterization of epitaxial YBCO thin films.     

基片光学特性对薄膜光强透过谱的影响

在考虑基片与空气界面反射率以及基片吸收不能忽略的情况下，对常见的基片上薄膜的光强透过率公式进行了修正，导出了该情况下的透过率公式．以非晶硅薄膜为研究对象，采用模拟计算说明基片光学特性对薄膜光强透过谱的影响．     

Recognition of the Finite Simple Groups F 4(2m) by Spectrum

The spectrum of a finite group is the set of its element orders. A finite group G is said to be recognizable by spectrum, if every finite group with the same spectrum as G is isomorphic to G. The purpose of the paper is to prove that for every natural m the finite simple Chevalley group F ₄(2 ^m ) is recognizable by spectrum.     

Algebra with Quadratic Commutation Relations for an Axially Perturbed Coulomb–Dirac Field

The motion of a particle in the field of an electromagnetic monopole (in the Coulomb–Dirac field) perturbed by an axially symmetric potential after quantum averaging is described by an integrable system. Its Hamiltonian can be written in terms of the generators of an algebra with quadratic commutation relations. We construct the irreducible representations of this algebra in terms of second-order differential operators; we also construct its hypergeometric coherent states. We use these states in the first-order approximation with respect to the perturbing field to obtain the integral representation of the eigenfunctions of the original problem in terms of solutions of the model Heun-type second-order ordinary differential equation and present the asymptotic approximation of the corresponding eigenvalues.     

CuPc molecules adsorbed on Au(1 1 0)-(1 × 2): growth morphology and evolution of valence band states

We present the growth morphology, the long-range ordering, and the evolution of the valence band electronic states of ultrathin films of copper phthalocyanine (CuPc) deposited on the Au(1 1 0)-(1 × 2) reconstructed surface, as a function of the organic molecule coverage. The low energy electron diffraction patterns present a (5 × 3) reconstruction from the early adsorption stages. High-resolution UV photoelectron spectroscopy data show the disappearance of the Au surface states related to the (1 × 2) reconstruction, and the presence of new electronic features related to the molecule-substrate interaction and to the CuPc molecular states. The CuPc highest occupied molecular orbital gradually emerges in the valence band, while the interface electronic states are quenched, upon increasing the coverage.     

Memory and a priori best strategy in complex adaptive systems

We employ an agent‐based model to show that memory and the absence of an a priori best strategy are sufficient for self‐segregation and clustering to emerge in a complex adaptive system with discrete agents that do not compete over a limited resource nor contend in a winner‐take‐all scenario. An agent starts from a corner of a two‐dimensional lattice and aims to reach a randomly selected site in the opposite side within the shortest possible time. The agent is isolated during the course of its journey and does not interact with other agents. Time‐bound obstacles appear at random lattice locations and the agent must decide whether to challenge or evade any obstacle blocking its path. The agent is capable of adapting a strategy in dealing with an obstacle. We analyze the dependence of strategy‐retention time with strategy for both memory‐based and memory‐less agents. We derive the equality spectrum to establish the environmental conditions that favor the existence of an a priori best strategy. We found that memory‐less agents do not polarize into two opposite strategy‐retention time distributions nor cluster toward a center distribution. © 2004 Wiley Periodicals, Inc. Complexity 9: 41–46, 2004     

Charge density study under high pressure

The experimental and analytical method of the high-pressure powder experiment at BL10XU, SPring-8, is described. There is no doubt that BL10XU must be one of the most appropriate beam lines for high pressure X-ray diffraction experiment taking advantage of third generation synchrotron source. As an example of the advanced charge density study under high pressure, the structural change of Cs₂Au₂Br₆ by applying pressure is studied by Rietveld/MEM analysis. It reveals that the structural change of Cs₂Au₂Br₆ by applying pressure occurs basically at electron level, such as valence state change and chemical bonding, which may be called the electronic phase transition.