基于第一性原理的无铅无机钙钛矿Cs3Bi2X9(X=Cl、Br、I)光电性能表面效应研究

用基于第一性原理的密度泛函理论方法,对Cs₃Bi₂X₉(X=Cl、Br、I)的光电特性进行理论计算,并系统阐述这3种晶体的表面效应对光电性能的影响。结果表明,3种材料的光学特性由铋原子和卤素原子最外层p轨道上的价电子主导。在可见光区中,材料的吸收峰会随卤素原子序数的增加呈现红移,其中一维结构的Cs₃Bi₂Cl₉表面结构在光吸收能力上尤为特别且敏感;二维结构的Cs₃Bi₂Br₉光吸收能力会受厚度影响;零维结构的Cs₃Bi₂I₉非常稳定,且几乎不受表面特性和晶体厚度的影响。     

Investigation of Copper(II) Interference on the Anodic Stripping Voltammetry of Lead(II) and Cadmium(II) at Bismuth Film Electrode

The bismuth‐coated electrode is known to be prone to errors caused by copper(II). This study investigates copper(II) interference at bismuth film electrode for the detection of lead(II) and cadmium(II). It was conducted using glassy carbon electrode, while the bismuth film was plated in situ simultaneously with the target metal ions at ? 1200 mV. Copper(II) presented in solution significantly reduced the sensitivity of the electrode, for example there was an approximately 70 % and 90 % decrease in peak signals for lead(II) and cadmium(II), respectively, at a 10‐fold molar excess of copper(II). The decrease in sensitivity was ascribed to the competition between copper and bismuth or the metal ions for surface active sites. Scanning electron microscopy (SEM) and energy dispersive X‐ray (EDX) analysis suggested a large decrease in the amount of bismuth nanoparticles formed on the electrode surface in the presence of copper(II) occurred, validating the competition between copper and bismuth ions for surface active sites. Recovery of the stripping signal of lead(II) and cadmium(II) was obtained by adding ferrocyanide ion to the solution. Finally, the proposed method was successfully applied to determine lead(II) and cadmium(II) in water samples and the method was validated by ICP‐MS technique.     

In–out asymmetry and interference effects in plasmon excitation by swift charged particles traversing a surface

We investigate the excitation of plasmons by a fast charged particle moving in the vicinity or traversing the surface of a solid along an arbitrary trajectory. We use both quantum‐mechanical and semiclassical dielectric formulations to study how the particle couples with the bulk and surface excitations. We pay special attention to the differences and similarities between incoming and outgoing trajectories, finding some novel oscillatory structures that can be ascribed to an interference effect between direct and reflected plasmon excitations. Copyright © 2013 John Wiley & Sons, Ltd.     

Statistical Model for Organic Chromatographic Trace Analysis of Complex Samples. A Case Study: Plant Extracts

Abstract

The use of pooled plant extracts is described in the estimation of matrix interference in HPLC (UV and EC) determinations of organic compounds in plant extracts. An extract from freeze dried leaves of 134 different plant species was used for this purpose. It was split in different subgroups with solid extraction clean-up procedures. UV, EC and chromatographic data of the subgroups were used in the calculation of minimum concentrations of organic compounds which are still accurately determinable in plant samples with HPLC methods. The UV and/or EC characteristics of the compound must be known. The contribution of the solid phase extraction procedures and of the analytical system to the selectivity of the method can be estimated. Information is also supplied which allows rapid comparison of the selectivity of the UV and EC (single, or dual parallel) detectors for the determination of a specified compound.     

Facile Fabrication of PBS/CNTs Nanocomposite Foam for Electromagnetic Interference Shielding

In order to reduce the pollutants of environment and electromagnetic waves, environment friendly polymer foams with outstanding electromagnetic interference shielding are imminently required. In this paper, a kind of electromagnetic shielding, biodegradable nanocomposite foam was fabricated by blending poly (butylene succinate) (PBS) with carbon nanotubes (CNTs) followed by foaming with supercritical CO₂. The crystallization temperature and melting temperature of PBS/CNTs nanocomposites with 4 wt % of CNTs increased remarkably by 6 °C and 3.1 °C compared with that of pure PBS and a double crystal melting peak of various PBS samples appeared in DSC curves. Increasing the CNT content from 0 to 4 wt % leads to an increase of approximately 3 orders of magnitude in storage modulus and nearly 9 orders of magnitude in enhancement of electrical properties. Furthermore, CNTs endowed PBS nanocomposite foam with adjustable electromagnetic interference (EMI) shielding property, giving a specific EMI shielding effectiveness of 28.5 dB cm³/g. This study provides a promising methodology for preparing biodegradable, lightweight PBS/CNTs foam with outstanding electromagnetic shielding properties.     

Adaptive neuro-fuzzy interference system modelling for chlorpyrifos removal with walnut shell biochar

Accumulation of chlorpyrifos (CP), a pesticide, causes a significant environmental problem in food, surface/ground waters further to human health. The removal of the CP pollutant in surface/wastewater could be achieved by biochar due to the improved physical and chemical properties. In this work, the CP removal capacities of biochar samples derived from walnut shells at various temperatures from 450 to 900 °C were investigated. The experiments were performed as laboratory batch type study and the adsorption efficiency was determined at various conditions such as adsorbent dosage (10–500 mg/L), sorbate concentrations (100–1500 µg/L), contact time (0–300 min), initial pH (3–10), and the number of recycle.By subtracting the pyrolysis temperature from 450 °C to 900 °C, the surface areas were found to increase from 12.9 m²/g to 353.3 m²/g, respectively.The 143 experimental data were evaluated by a pair of kinetics and isotherm models and the Adaptive Neural Fuzzy Inference System (ANFIS). The developed ANFIS model was 98.56% successful in predicting the CP removal efficiency depending on the adsorption conditions. Walnut Shell Biochar (WSBC) can be applied for CP adsorption with 86.64% removal efficiency under optimum adsorption conditions (adsorbent = 250 µg/L, sorbate = 1000 µg/L, pH = 7.07 and contact time 15 min) thanks to its improved porosity. It was determined that the biochar samples could be reused 5 times. Equilibrium adsorption was observed to conform to the Langmuir isotherm, and the maximum adsorption capacity for WSBC@900 was 3.536 mg/g.     

Cooperative spectrum sharing MIMO systems with successive decoding

A spectrum sharing system with primary and secondary nodes, each equipped with an arbitrary number of antennas, is investigated. Particularly, the outage performance of an underlay cognitive system is analytically studied, in the case when the end-to-end ($e2e$) communication is established via an intermediate relay node. To better enhance the $e2e$ communication, successive interference cancellation (SIC) is adopted, which compensates for both the transmission power constraint and the presence of interference from primary nodes. Both the relay and secondary receiver perform unordered SIC to successively decode the multiple streams, whereas the decode-and-forward relaying protocol is used for the $e2e$ communication. New closed-form expressions for the $e2e$ outage performance of each transmitted stream are derived in terms of finite sum series of the Tricomi confluent hypergeometric function. In addition, simplified yet tight approximations for the asymptotic outage performance are obtained. Useful engineering insights are manifested, such as the diversity order of the considered system and the impact of interference from the primary nodes in conjunction with the constrained transmission power of the secondary nodes.     

用Matlab比较双缝干涉和双缝衍射

运用Matlab软件,对双缝衍射和双缝干涉、单缝衍射的光强分布和谱线特征进行了数值模拟,绘出实验中难以观察到的光强分布图,比较出双缝衍射与双缝干涉及单缝衍射的联系与区别。     

纳米磁流体动态散斑干涉场的奇异场分布

通过对由纳米磁流体运动引起的双扫描激光散斑干涉光场及其变化做拉盖尔-高斯滤波下的傅里叶变换,获得动态散斑干涉图对应的光学涡旋分布及变化特征。分析认为,光学涡旋分布及变化对应着由纳米磁微粒及其团族的运动所引起的动态散斑变化。当纳米磁微粒聚集到分散的过程中,动态激光散斑光场的奇异场分布发生相应变化,说明了磁流体运动过程对应涡旋密度有先大后小,再由小变大的两个变化;并且光学涡旋密度高,对应较小颗粒的散斑场,磁流体处于稳态的状况;光学涡旋密度低,对应较大颗粒的散斑场,对应着磁流体激烈的运动。研究结果体现了奇异场分布变化和纳米磁流体动后趋稳的过程存在对应关系。