一维磁流体掺杂光子晶体缺陷模的磁控可调特性

磁流体的有效介电常数 与磁性粒子体积分数P和外加磁场因子 有关。本文首先计算了水基MnFe2O4磁流体的有效折射率随纳米磁性粒子体积分数P和外加磁场强度因子 的变化关系,发现通过调节外加磁场因子 的大小可实现不同纳米磁性粒子体积分数P的磁流体具有相同的有效折射率。然后,应用传输矩阵法,数值模拟了水基MnFe2O4磁流体中的纳米磁性粒子体积分数P=0.745时结构为(AB)8C(BA)8的一维磁流体掺杂光子晶体的透射谱。结果表明：缺陷模随着磁流体有效折射率nc的增大出现红移现象,即缺陷模中心波长随着随有效折射率nc的增大而变长,最大改变量为36.6nm。最后讨论了缺陷模品质因子 ,发现缺陷模半峰值带宽 不变,缺陷模品质因子 与缺陷模波长 随磁流体有效折射率nc的变化具有相同的线性变化特性,即品质因子 随有效折射率nc的增大而增大。     

向列相液晶弹性各向异性诱导液晶盒产生漏光的研究

为了阐述具有体缺陷结构的向列相液晶盒在暗态出现漏光的原因,以及边界锚定条件对漏光的影响,首先,建立了3个向列相液晶盒模型,它们具有不同的初始指向矢排布。接着,基于Landau-de Gennes理论,通过对指向矢场的缺陷动力学计算,得到液晶盒截面内平衡态的指向矢分布。最后,使用琼斯矩阵法将该截面内的指向矢分布以透过率的形式表示出来。模拟结果显示,在无外场条件下,当向列相液晶的弹性常数满足L2/L1≥1(K22/K11≤2/3)时,具有体缺陷结构的液晶盒展现出了自发的扭曲结构,导致了漏光的出现。且漏光强度随着缺陷结构和边界条件的不同而不同。本文模型很好地解释了体缺陷造成液晶盒在暗态出现漏光的原因,且模拟结果与工业生产过程中观察到的现象是一致的。     

The Effects of Embedded Dipoles in Aromatic Self‐Assembled Monolayers

Using a representative model system, here electronic and structural properties of aromatic self‐assembled monolayers (SAMs) are described that contain an embedded, dipolar group. As polar unit, pyrimidine is used, with its orientation in the molecular backbone and, consequently, the direction of the embedded dipole moment being varied. The electronic and structural properties of these embedded‐dipole SAMs are thoroughly analyzed using a number of complementary characterization techniques combined with quantum‐mechanical modeling. It is shown that such mid‐chain‐substituted monolayers are highly interesting from both fundamental and application viewpoints, as the dipolar groups are found to induce a potential discontinuity inside the monolayer, electrostatically shifting the core‐level energies in the regions above and below the dipoles relative to one another. These SAMs also allow for tuning the substrate work function in a controlled manner independent of the docking chemistry and, most importantly, without modifying the SAM‐ambient interface.     

一种宽频带双极化印刷偶极子基站天线

设计并优化了一款适用于LTE天线系统的基站天线振子单元。在印刷偶极子天线以及微带巴伦的基础上,通过等效电路模型进行分析,设计出该天线的多级阻抗匹配巴伦。采用寄生贴片、领结型设计等技术,有效地拓展了天线频带带宽,实现了±45°双极化。仿真结果表明,天线的VSWR≤1.5和回波损耗大于15 d B的带宽达到了54.5%,可以覆盖GSM1800,CDMA2000,WCDMA,TD-SCDMA和LTE系统。在此频带范围内,该天线的驻波特性、方向性、增益和隔离度等指标均满足LTE多模式系统的指标。同时该天线也易于制作,适用于LTE多模式基站天线系统。     

不对称金纳米结构的光致热增强效应的调控研究

提出了一种产生光致热增强效应的不对称的人工金 纳米结构,建立了物理模型并进行了计算。采用离散偶极近似(DDA)方法计算水介质环境中 该结构及其不对称性改变后对吸收光谱及近区电磁场分布的影响,进而 利用傅里叶热传导定律数值模拟了该结构产生的热增强效应。结果表明:改变纳米结构的不 对称程度会明显影响结 构的光谱吸收位置、线型和峰值强度;同时,通过调节纳米结构的不对称性也可以有效地将 磁场能转化为热能,并 在结构周围形成高度限定的局域热增强现象。本文提出的纳米结构可在较大的近红外波段范 围内调控温度,可作为纳米尺度 下精确控制光致热效应的温度和设计热等离子纳米器件之参考。     

PSEUDOHALOGEN CHEMISTRY. PART IV. HETEROLYTIC ADDITION OF THIOCYANOGEN TO ALKENES

Abstract

Thiocyanogen reacts slowly with alkenes, in the presence of a radical inhibitor in benzene or acetic acid in the dark at 25°, to yield α,β-dithiocyanates, α-isothiocyanates-β-thiocyanates and, in acetic acid, α-acetoxy-β-thiocyanates in varying proportions. The additions to alkyl alkenes are trans-stereospecific, and, in the case of the α-isothiocyanato-β-thiocyanates, non-regiospecific. The additions to aryl alkenes are trans-stereoselective and regiospecific, yielding the Markownikov-orientated α-isothiocyanato-β-thiocyanates. A heterolytic mechanism involving a two-step, kinetically controlled addition, with the formation of a cyano-sulfonium ion intermediate, e.g., 35, in the case of alkyl alkenes and an open carbonium ion, e.g., 36, in the case of aryl alkenes, is suggested. The diothiocyanate: isothiocyanato-thiocyanate ratios are discussed in terms of kinetic and steric control of reaction.     

无机固体材料中的忆阻效应

缺陷调控是固体化学中的基本问题,也是决定材料性能的核心要素。基于缺陷调控的忆阻效应将给未来电子信息领域带来全新的变革。本文综述了无机固体材料中忆阻效应的研究进展,主要总结了忆阻效应的产生机制和忆阻材料的类型,结合原子级p-n结的相关工作,提出深入明确电场下缺陷迁移机制将是从无机固体化学角度研究忆阻效应的重要方向。     

Nonstationarity and related measures for time‐dependent hartree–fock and multiconfigurational models

Based on an earlier article (Eberly and Singh, Phys. Rev. D 1973 , 7, 359) and related works on short‐time evolution, this article proposes a many‐electron formulation for the nonstationarity degree which can be assigned to quantum system at each time point. The key measure introduced, , is a nonstationarity index that can be thought of as an inverse nominal lifetime at each instance of time. The index is directly computed from the time derivative of one‐electron density matrix and is a size‐consistent quantity. In this article, the approach is developed for the time‐dependent Hartree–Fock (TDHF), single‐excitation (TDCIS), and time‐dependent full configuration interaction (TDFCI) models. As a rule, nonstationarity effects are more pronounced in correlated electron systems, and a joint analysis of and the multiconfigurational character of wave functions apparently provide a deeper insight into dynamical molecular processes. The performed calculations on small molecules in laser fields show a preference for the TDCIS model when comparing TDCIS and TDHF with the “exact” TDFCI model. © 2013 Wiley Periodicals, Inc.     

The influence of structural changes of symmetrical dimers containing two phenyl groups on liquid crystalline behaviour

Some symmetrical dimeric compounds containing biphenyl, biphenylcarboxylic acid or benzoiloxyphenyl moieties and polymethylene spacers were synthesised. The mesogenic properties of the synthesised compounds were investigated by optical microscopy, calorimetric and X-ray methods. It was shown that the location and direction of the ester bonds has a crucial significance in mesophase formation.     

Highly Efficient α‐Sialylation by Virtue of Fixed Dipole Effects of N‐Phthalyl Group: Application to Continuous Flow Synthesis of α(2‐3)‐and α(2‐6)‐Neu5Ac‐Gal Motifs by Microreactor

Highly α‐selective sialylation of sialic acid N‐phenyltrifluoroacetimidate with various galactose and lactose acceptors has been achieved by introducing the C‐5 N‐phthalyl group on the donor. The “fixed dipole effect” of the N‐phthalyl group was proposed to explain the high reactivity and α‐selectivity. The microfluidic system was applied to the present α‐sialylation, which is amenable to large‐scale synthesis. The N‐phthalyl group was removed by treatment with methylhydrazine acetate, for which protocol can be readily applied to the synthesis of a variety of sialic acid‐containing oligosaccharides.