The evolution of polarization inside ultrathin PbTiO3 films: a theoretical study

How to control the material properties by manipulating the unitcell thickness is crucial for applications of ferroelectric ultrathin films. To understand the polarization behaviour of ultrathin PbTiO₃ (PTO) films grown on SrTiO₃ (STO) substrate, we have systematically explored the strength and direction of polarization in each unitcell layer, using density functional theory combined with Born effective charge method. Strikingly, we find that the polar state of ultrathin PTO films is a composite result depending not only on thickness but also on boundary condition, initial polarization direction, etc. Besides, we also studied the surface effect on the polarization in the thicker PTO films for comparison with the ultrathin ones, which suggests that the surface effect is basically confined in a small range (3–5 unitcells thick at surface region) no matter what kinds of surface terminations and polarization directions.     

Tunable Upconversion Emissions from Lanthanide-doped Monodisperse β-NaYF4 Nanoparticles

We report upconversion multicolor tuning based on uniform β-NaYF₄:Yb/Tm/Er nanoparticles. The as-synthesized nanoparticles with an average diameter of 25 nm are well dispersed in a wide range of nonpolar solvents including hexane, cyclohexane, dichloromethane, and toluene. These nanoparticles show intense upconversion emissions and the color output can be precisely modulated by adjusting activator ratios of Tm³⁺ to Er³⁺. Dopant-concentration dependent emission properties of the triply doped particle system are also investigated. In addition, we demonstrate that these nanoparticles can be readily transferred to polar solvents such as ethanol and water by growing a thin silica layer (10 nm) around the particles, providing potential applications in biological labeling and imaging.     

Effect of the surface-modifying macromolecules on the duration of the surface functionalization

Functionalization of polystyrene films by the preferential surface enrichment of surface-modifying macromolecules (SMM) to achieve a hydrophilic surface with long effective duration is described. The comb-like amphiphilic copolymers (PKG-g-PS) based on styrene-maleic anhydride copolynier (SMA) backbone was synthesized by esterification of SMA with poly(ethylene glycol) (PEG). When PEG-g-PS was melt blended with polystyrene, the preferential surface enrichment of PEG-g-PS was much evident resulting in the large increase of the surface polarity. The effective duration of the surface functionalizatoin was also hugely extended as SMMs were added into the blends. Furthermore, more polyether chain segments on PEG-g-PS could selectively migrate to the surface by the inducement of polar solvent. Compared with the PEG-g-PS/PS and PEG/PEG-g-PS/PS blends, the surface polarity and the effective duration of surface modification both increased greatly when PEG-g-PS was used as the compatibilizer of PEG/PS blends. It was an effective solution to balance the conflict between the duration and efficiency of the surface-modifying additives.     

Synthesis and luminescent properties of hexagonal BaZnSiO4:Eu2+ phosphor

A green-emitting phosphor of hexagonal BaZnSiO₄:Eu²⁺ was prepared by a combustion-assisted synthesis method and an efficient green emission from ultraviolet to visible light was observed. The luminescence and crystallinity were investigated by using luminescence spectrometry and X-ray diffractometry. In the hexagonal structure of BaZnSiO₄:Eu²⁺ phosphor, Eu²⁺ ions occupy three different lattice sites by substitution for Ba²⁺ ions. Eu²⁺ ions on Ba (1) and Ba (2) sites gave emissions at about 505 nm while Eu²⁺ ions on Ba (3) sites showed an emission band at 403 nm. The excitation spectrum is a broad band extending from 260 to 465 nm, which matches the emission of ultraviolet light-emitting diodes. The critical quenching concentration of Eu²⁺ in BaZnSiO₄:Eu²⁺ phosphor is about 0.05 mol. The value of the critical transfer distance is calculated as 10.97 Å. The corresponding concentration quenching mechanism is verified to be the electric multipole–multipole interaction. The CIE coordinates of the optimized sample $\mathrm{Ba}_{0.95}\mathrm{ZnSiO}_{4}{:}\mathrm{Eu}_{0.05}^{2+}$ were calculated as (x,y)=(0.172,0.463).     

The impact of human activity patterns on asymptomatic infectious processes in complex networks

The study of the impact of human activity patterns on network dynamics has attracted a lot of attention in recent years. However, individuals’ knowledge of their own physical states has rarely been incorporated into modeling processes. In real life, for certain infectious processes, infected agents may not have any visible or physical signs and symptoms; therefore, they may believe that they are uninfected even when they have been infected asymptomatically. This infection awareness factor is covered neither in the classical epidemic models such as SIS nor in network propagation studies. In this article, we propose a novel infectious process model that differentiates between the infection awareness states and the physical states of individuals and extend the SIS model to deal with both asymptomatic infection characteristics and human activity patterns. With regards to the latter, we focus particularly on individuals’ testing action, which is to determine whether an individual is infected by an epidemic. The simulation results show that less effort is required in controlling the disease when the transmission probability is either very small or large enough and that Poisson activity patterns are more effective than heavy-tailed patterns in controlling and eliminating asymptomatic infectious diseases due to the long-tail characteristic.     

Mathematica软件在波动教学中的应用

利用数学软件Mathematica 7.0的动画与声音播放功能,将半波损失、驻波、拍等内容直观化显示,有效提高教学效果.     

Time-resolved resonance Raman investigation of the 2-fluorenylnitrenium ion reactions with C8 guanosine derivatives

A nanosecond time-resolved resonance Raman (ns-TR3) spectroscopic study of the reactions of the 2-fluorenylnitrenium ion with several C8-substituted guanosine derivatives is reported. The TR3 spectra show that the 2-fluorenylnitrenium ion reacts with the C8-substituted guanosine derivatives (C8-methylguanosine and C8-bromoguanosine) to produce C8 intermediates with the methyl and bromine moieties still attached to the intermediate species at the C8 position. The C8-bromoguanosine species was observed to be less reactive toward the 2-fluorenylnitrenium ion compared to the guanosine and C8-methylguanosine species. Comparison of the TR3 spectra to the results obtained from density functional theory calculations was used to characterize the C8 intermediates observed to learn more about their structure and properties. The implications of these results for the chemical reactivity of arylnitrenium ions toward substituted guanosine derivatives are briefly discussed.     

正电子湮没参量及其所反映物质信息的探讨

本根据正电子在凝聚态物质中的湮没机制及捕获模型,讨论了正电子湮没参量——正电子寿命谱和多普勒线形等参量所反映的物质信息,给出了各正电子湮没参量与所反映的物质信息之间的定量关系。分析了在该体系中正电子寿命参量与局域电子密度、多普勒线形参量和角关联参量与电子动量密度分布和费米面之关联。     

Coexisting four-wave mixing and six-wave mixing in three-level atomic system

We demonstrate the coexisting four-wave mixing (FWM) signal and six-wave mixing (SWM) signal which can be enhanced both by electromagnetically induced transparency (EIT) and optical pumping effect in a common three-level and open four-level inverted-Y type systems of ⁸⁵Rb. We also analyze the effect of optical pumping in different energy level systems by arranging laser beams and comparing the strength of the increased and reduced absorption caused by optical pumping.