温度对ZnO/Al2O3(0001)界面的吸附、扩散及生长初期模式的影响

构建了一个ZnO沉积在α-Al₂O₃(0001)表面生长初期的模型，采用基于密度泛函理论的平面波超软赝势法进行了动力学模拟.发现在400，600和800℃的条件下界面原子有不同的扩散能力，因此温度对ZnO/α-Al₂O₃(0001)表面界面结构以及ZnO薄膜生长初期模式有决定性的影响.在整个ZnO吸附生长过程中，O原子的扩散系数大于Zn原子的扩散系数，O原子的层间扩散对薄膜的均匀生长起着重要作用.进一步从理论计算上证实了ZnO在蓝宝石(0001)上两种生长模式的存在，400℃左右生长模式主要是Zn螺旋扭曲生长，具有Zn六角平面对称特征，且有利于Zn原子位于最外表面.600℃左右呈现为比较规则的层状生长，且有利于O原子位于最外表面.模拟观察到在ZnO薄膜临近Al₂O₃基片表面处，Zn的空位缺陷明显多于O的空位缺陷. 关键词： 扩散 薄膜生长 2O₃(0001)')" href="#">α-Al₂O₃(0001) ZnO     

Highly efficient and stable electrooxidation of methanol and ethanol on 3D Pt catalyst by thermal decomposition of In_2O_3 nanoshells

In this paper In_2O_3 nanoshells have been synthesized via a facile hydrothermal approach.The nanoshells can be completely cracked into pony-size nanocubes by annealing,which are then used as a support of Pt catalyst for methanol and ethanol electrocatalytic oxidation.The prepared In_2O_3 and supported Pt catalysts(Pt/In_2O_3) were characterized by X-ray diffraction(XRD),energy dispersive X-ray spectroscopy(EDS),X-ray photoelectron spectroscopy(XPS),field effect scanning electron microscopy(FESEM),and transmission electron microscopy(TEM).Cyclic voltammetry(CV),linear sweep voltammetry(LSV),chronoamperometry and electrochemical impedance spectroscopy(EIS) were carried out,indicating the excellent catalytic performance for alcohol electrooxidation can be achieved on Pt/In_2O_3 nanocatalysts due to the multiple active sites,high conductivity and a mass of microchannels and micropores for reactant diffusions arising from 3D frame structures compared with that on the Pt/C catalysts.     

Study on Conductivity Properties of PEDOT Prepared through a Modified LB Film Method

Adopting LB film method, an arachidic acid (AA)/PEDOT multilayer LB film was chosen, and polymerized EDOT monomers in hydrophilic group of LB to prepare arachidic acid (AA)/PEDOT multilayer LB film. UV‐Vis, FT‐IR and XPS analyses implied that EDOT was effectively polymerized in film, and thus PEDOT conducting polymer was produced. Analyses of XRR and SIMS indicated that film had a well‐arranged lamella structure, and further research showed that polymerization of EDOT in AA film destroyed the orderliness of the original LB film. This phenomenon could be related to the destructive effect of polymerization on layered structure. We used four‐point probe and semiconductor instrument to study the conductivity property of the film, and observed that the conductivity of AA/PEDOT film had sudden changes with the processing time of changes in effective conduction network. That was caused by "permeability" in conducting channel of multilayer film. The test results also indicated that the conductivity of AA/PEDOT film was obviously better than that of spin‐coating PEDOT/PSS film or that of ODA‐SA/PEDOT‐PSS film, which was due to the higher π structure of PEDOT structure and ordered film structure.     

Erratum to: “On the HSS iteration methods for positive definite Toeplitz linear systems” [J. Comput. Appl. Math. 224 (2009) 709-718]

In [1], Gu and Tian [Chuanqing Gu, Zhaolu Tian, On the HSS iteration methods for positive definite Toeplitz linear systems, J. Comput. Appl. Math. 224 (2009) 709-718] proposed the special HSS iteration methods for positive definite linear systems Ax=b with A∈C^n×n a complex Toeplitz matrix. But we find that the special HSS iteration methods are incorrect. Some examples are given in our paper.     

带约束的零智能交易系统的实验模型的研究

仿真实验分析是研究交易系统规律的一种重要手段,带约束的零智能系统(ZI-C)是业界研究双向交易系统的重要基准.本文针对ZI-C的典型仿真实验进行分析,揭示其中系统内价格出清过程和实验设置的关系,并量化了各交易者在市场匹配中的难易程度.在分析中,首次提出了一种概率仿真模型,使用了迭代计算来估计每一时刻系统中各种价格产生的...     

Propagation of a pair of vortices through a tilted lens

The propagation of a pair of vortices nested in a Gaussian beam through a tilted lens is studied. It is shown that after passing through the tilted lens, the relation between the transverse position of vortices and the tilt coefficient is linear in the propagation for isopolar vortex pair and vortex dipole, and in the three-dimensional (3D) case the vortex trajectories are sometimes like U or X shapes. With increasing the orientation angle of the vortex pair, the trajectories of vortices are circles for the both cases. The overlap of vortices may take place for the isopolar vortex pair, while the annihilation and revival of vortices occur for the vortex dipole in the propagation.     

Study on microwave excited by virtual cathode oscillation in cavity

Microwave excited by virtual cathode (VC) oscillation in a cylindrical cavity is analyzed. The VC is regarded as a oscillating charged disk. By the means of model expansion method, the relation between microwave frequency and VC oscillation in a specific cylindrical cavity is obtained. The expressions of mode expansion coefficients are derived. The results show that at longer cavity length, the microwave excited is more pure, this is in good agreement with experiment results. Analysis confirms that the closer is the characteristic freuency of a mode to the oscillating frequency of VC, the larger is the mode expansion coefficient.     

Linear Theory of Free Electron Laser with a Plasma-Loaded Cylindrical Waveguide

The dispersion characteristics of plasma–loaded free-electron laser has been analyzed using linear fluid model. The device under consideration consists of the cylindrical metallic waveguide, completely filled with background plasma and a relativistic electron beam which passes through a helical wiggler magnetic field. The result predicts that reasonable plasma density tends to improve the growth rate of the low-frequency optical wave of FEL and causes an shiftup in the operating frequency, However it has little effect on the growth rate of the high-frequency wave. In the plasma–loaded FEL, for the FEL oscillator, it may be tuned by varying the plasma density; and for the FEL amplifier, the wider frequency bandwidth is gained. A critical density n ^c _p for the background plasma density is found.     

The dynamic complexity of a three-species Beddington-type food chain with impulsive control strategy

In this paper, by using theories and methods of ecology and ordinary differential equation, the dynamics complexity of a prey–predator system with Beddington-type functional response and impulsive control strategy is established. Conditions for the system to be extinct are given by using the Floquet theory of impulsive equation and small amplitude perturbation skills. Furthermore, by using the method of numerical simulation with the international software Maple, the influence of the impulsive perturbations on the inherent oscillation is investigated, which shows rich dynamics, such as quasi-periodic oscillation, narrow periodic window, wide periodic window, chaotic bands, period doubling bifurcation, symmetry-breaking pitchfork bifurcation, period-halving bifurcation and crises, etc. The numerical results indicate that computer simulation is a useful method for studying the complex dynamic systems.