Electronic structures and ferroelectric properties of ABi2Ta2O9 (A=Ca, Sr, and Ba)

The electronic structures of ABi₂Ta₂O₉ (A=Ca, Sr, and Ba) were calculated by using first-principles under optimized structure. As the size of A-site cation decreases from that of Ba²⁺ to Ca²⁺, the band-gap between O 2p and Ta 5d increases from 2.0 to 2.9 eV, which responses to the stronger orbital hybridizations between Ta 5d and O 2p orbits favoring improvement of the ferroelectric property, decrease in leakage current, and increase in both spontaneous polarization and Curie temperature by the structural distortion. In contrast to CaBi₂Ta₂O₉ and SrBi₂Ta₂O₉, the hybridization between Ba 5p orbits and O 2p orbits in BaBi₂Ta₂O₉ has better structural stability.     

Richards模型在蔬菜生长预测中的应用

本文从 Richards模型的数学表达出发 ,阐述了模型中各参数初始值的确定以及优化过程 .并利用菜花和菠菜的试验数据建立其“最优”生长模型 .     

用遗传算法拟合电力系统负荷短期预测的非线性模型

本文运用遗传算法，根据河北省１９８５—１９９０年春节期间每小时用电量的统计数字，建立了非线性回归模型（Ｇｏｍｐｅｒｔｄｚ），结果表明，遗传算法性能良好，可望成为电力系统各种非线性模型辨识的有效手段。     

Miniature InGaAsP/InP phase modulator for integrated opto-electronics

Miniature, etching ridge InGaAsP/InP Phase Modulator with highly efficient phase shifting efficiency of 60°/V.mm and 43°/V.mm for TE and TM modes, respectively, and 3 dB bandwidth of 650 MHz at 1.52 μm are reported. It is well suited for integrated opto-electronics. Some functions depending on bandwidth of the devices are discussed.     

关于无界无限维商品空间上的生产经济均衡

本文研究了无界无限维商品空间上的生产经济均衡的存在性．虽然我们把商品空间看成是Ｒｉｅｓｚ空间，但并没有在它的正锥上作任何内部假设．同时我们的结果也为现代企业或公司从事经济预测、制订生产计划、改善经营管理、提高劳动生产率以及优化经济机制提供了理论依据．     

The honeycomb network structure of poly[[[μ2‐1,3‐bis(1H‐benzimidazol‐2‐yl)benzene‐κ2N3:N3′](μ2‐terephthalato‐κ2O:O′)zinc(II)] ethanol solvate]

The terephthalate dianion and the bis(imidazolyl)benzene ligand of the title compound, {[Zn(C₈H₄O₄)(C₂₀H₁₄N₄)]·C₂H₆O}_n, each bridges two adjacent zinc centers, resulting in a layer‐type coordination polymer; the zinc center shows tetrahedral coordination. The disordered ethanol solvent molecules occupy the spaces between the layers and are hydrogen bonded to the layers. The two symmetry‐independent dianions lie on different inversion sites.     

Preparation of dye-loaded SiO2 nanoparticles

A room temperature method for the encapsulation of pyrene in SiO₂ nanoparticles is described. The relation between alkoxysilane surfactant chain length, reactant molar ratios and the uptake of dye, sample morphology, photophysical properties, and the ability of the silicate matrix to protect the encapsulated dye was examined. The synthesis can easily be adapted for the encapsulation of other hydrophobic and thermolabile substances, and used in the development of nanostructured optically active coatings, films and monoliths.     

Chinese (Mainland) teachers’ views of effective mathematics teaching and learning

This study investigates Chinese teachers’ cultural beliefs concerning effective mathematics teaching through semi-structured interview with nine experienced teachers. For the Chinese teachers, an effective teacher should always be passionate and committed to the teaching profession. She should not only understand the knowledge in the textbook thoroughly but also be able to carefully craft the knowledge from the textbook for teaching by predicting possible students’ difficulties. Although Chinese teachers emphasize student participation and flexible teaching, they tend to see the teacher’s ability to design and lead coherent lessons as the key for facilitating students’ understanding. The result of this study helps researchers and educators understand the teacher-designed and content-oriented teaching model in Chinese classrooms.     

Synthesis of grafted poly(p‐phenyleneethynylene) with energy donor–acceptor architecture via atom transfer radical polymerization: Towards nonaggregating and hole‐facilitating light‐emitting material

In this contribution, we demonstrate a new effective methodology for constructing highly efficient and durable poly(p‐phenyleneethynylene) (PPE) containing emissive material with nonaggregating and hole‐facilitating properties through the introduction of hole‐transporting blocks into the PPE system as the grafting coils as well as building the energy donor–acceptor architecture between the grafting coils and the PPE backbone. Poly(2‐(carbazol‐9‐yl)ethyl methacrylate) (PCzEMA), herein, is chosen as the hole‐transporting blocks, and incorporated into the PPE system as the grafting coils via atom transfer radical polymerization. The chemical structure of the resultant copolymer, PPE‐g‐PCzEMA, was characterized by NMR and gel permeation chromatography, showing that the desirable copolymer was obtained with the narrow polydispersity. The increased thermal stability of PPE‐g‐PCzEMA was confirmed by thermogravimetric analysis and differential scanning calorimetry along with its macroinitiator. The optoelectronic properties of this copolymer were studied in detail by ultraviolet‐visible absorption, photoluminescence emission and excitation spectra, and cyclic voltammogram (CV). The results indicate that PPE‐g‐PCzEMA exhibits the solid‐state luminescent property dominated by individual lumophores, and also the energy transfer process from the PCzEMA blocks to the PPE backbone with a relatively higher energy transfer efficiency in the solid‐state compared to that of the solution state. Additionally, the hole‐injection property is greatly facilitated due to the presence of PCzEMA, as confirmed by CV profiles. All these data indicate that PPE‐g‐PCzEMA is a good candidate for use in optoelectronic devices. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 3776–3787, 2007     

Cluster and periodic DFT calculations of adsorption and activation of CO2 on the Cu(hkl) surfaces

The adsorption behavior and thermal activation of carbon dioxide on the Cu(1 1 1), Cu(1 0 0), and Cu(1 1 0) surfaces have been investigated by means of density functional theory calculations and cluster models and periodic slabs. According to the cluster models, the optimized results indicate that the basis set of C and O atoms has a distinct effect on the adsorption energy, but an indistinct one on the equilibrium geometry. For the CO₂/Cu(hkl) adsorption systems studied here, the final structure of adsorbed CO₂ is near linear and the preferred modes for the adsorption of CO₂ onto the Cu(1 1 1), Cu(1 0 0), and Cu(1 1 0) surfaces are the side-on adsorption at the cross bridge site with an adsorption energy of 13.06 kJ/mol, the side-on adsorption at the short bridge site (13.54 kJ/mol), and the end-on adsorption on the on-top site with C–O bonds located along the short bridge site (26.01 kJ/mol), respectively. However, the calculated adsorption energies from periodic slabs are lower as compared to the experimental data as well as the cluster model data, indicating that the periodic slab approach of generalized gradient approximation in the density function theory may be not suitable to obtain quantitative information on the interaction of CO₂ with Cu(hkl) surfaces.