优氯净的分析测定新方法研究

本文利用优氯净对紫外光有吸收的特性,采用紫外分光光度法对优氯净的含量进行测定.实验考察了测定过程中可能存在的各种影响因素,证明此方法是一种简便的、高效可行的优氯净的分析方法.     

相关免疫函数阶的判别方法

在密码学中,为了抵抗相关攻击,要求选用的布尔函数具有相关免疫性,高阶的相关免疫函数都是一阶的,一阶的却不一定是高阶的,本文给出了二种判断一阶相关免疫函数是否为二阶或更高阶的新方法.     

Structures of Pt clusters on graphene doped with nitrogen, boron, and silicon: a theoretical study

The structures of Pt clusters on nitrogen-,boron-,silicon-doped graphenes are theoretically studied using densityfunctional theory.These dopants(nitrogen,boron and silicon) each do not induce a local curvature in the graphene and the doped graphenes all retain their planar form.The formation energy of the silicon-graphene system is lower than those of the nitrogen-,boron-doped graphenes,indicating that the silicon atom is easier to incorporate into the graphene.All the substitutional impurities enhance the interaction between the Pt atom and the graphene.The adsorption energy of a Pt adsorbed on the silicon-doped graphene is much higher than those on the nitrogen-and boron-doped graphenes.The doped silicon atom can provide more charges to enhance the Pt-graphene interaction and the formation of Pt clusters each with a large size.The stable structures of Pt clusters on the doped-graphenes are dimeric,triangle and tetrahedron with the increase of the Pt coverage.Of all the studied structures,the tetrahedron is the most stable cluster which has the least influence on the planar surface of doped-graphene.     

三维拓扑绝缘体antidot阵列结构中的磁致输运研究

利用聚焦离子束刻蚀技术在拓扑绝缘体Bi_2Se_3薄膜中刻蚀了纳米尺度的反点(antidot)阵列,并对制作的三个器件进行了系统的电学输运测量研究.低温下,所有器件中都观察到明显的弱反局域化效应.通过对弱反局域化效应的分析,发现器件一(Dev-1,不含有antidot阵列)和器件二(Dev-2,含有周期较大的antidot阵列)是始终由一个导电通道主导的量子输运系统,但在器件三(Dev-3,含有周期较小的antidot阵列)中能明确观察到较低温度下存在两个独立的导电通道,而在较高温度下Dev-3表现为由一个导电通道主导的量子输运系统.     

外场作用下C12H4Cl4O2的分子结构和电子光谱研究

各种环境毒物危害着人类的生产生活,二噁英更是严重危害人类的健康.C₁₂H₄Cl₄O₂（2,3,7,8-tetrachlorodibenzo-p-dioxin,TCDD）是二噁英中毒性最强的化合物,也是目前已知毒性最强的污染物.为研究TCDD外场效应,采用密度泛函理论方法优化了不同静电场0–0.025 a.u.（0–1.2856×10¹⁰ V/m）作用下TCDD分子的基态几何结构,得到了分子总能量;在此基础上,采用含时密度泛函理论方法对TCDD分子的紫外-可见（UV-Vis）吸收光谱在不同外电场下的变化进行了研究.结果表明：分子几何构型与电场大小呈现强烈的依赖关系,分子总能量随着外电场的增强而减小;伴随着外电场的增强,分子激发态的摩尔吸收系数逐渐减小,UV-Vis吸收峰显著红移.     

Improvement of electro-optic performances in white organic light emitting diodes with color stability by buffer layer and multiple dopants structure

A series of white phosphorescent OLED devices with buffer layer and multiple dopant structure is investigated in order to obtain better electro-optic performances and color stability. The color coordinate and color stability are related to the location of multiple dopants layer, and the optimized location can compensate for the change of the blue emission intensity under a high voltage and stabilize the spectrum. The electro-optic performances and color stability can be further improved by changing the composition and thickness of the buffer layer between the emitting layer and the electron transport layer.In device B2, the distance from multiple dopant layer to buffer layer is 2 nm and the thickness of buffer layer is 5 nm,the maximum luminance, current density, and power efficiency can reach 9091 cd/m~2, 364.5 mA/cm~2, and 26.74 lm/W,respectively. The variation of international commission on the illumination(CIE) coordinate of device B2 with voltage increasing from 4 V to 7 V is only(0.006, 0.004).     

侧向局部加热腔体内对流时空结构的研究

通过二维流体力学基本方程组的数值模拟,研究了普朗特数Pr=6.949时侧向局部加热腔体内水平温差驱动的自然对流。仔细观察腔体内水平流的入侵过程,发现在冷热流体交接面的上下部位同时出现了冷入侵流和热入侵流,并且在交汇处有破碎扰动波出现。揭示了周期性双局部对流结构,并发现在右壁面温度高于左壁面温度区域顶部有对流卷生成,对流卷随时间沿侧壁面向腔体下部移动,最后消失,同时又有新对流卷在该区域顶部生成,这种现象重复循环着。结果表明:在右壁面温度高于左壁面温度区域,热边界层厚度(θδ)随腔体高度增加而增大;在右壁面温度等于左壁面温度区域,θδ值随腔体高度增加而减小;并且格拉晓夫数(Gr)越大,θδ值越小。     

Low-loss terahertz waveguide with InAs-graphene-SiC structure

We demonstrate a low-loss terahertz waveguide based on the InAs-graphene-SiC structure. By analyzing the terahertz waveguide proposed in this paper, we can obtain that it is the characteristic of a low transmission loss coefficient(αloss≈0.55 dB/m) for fundamental mode(LP01) when the incident frequency is larger than 3.0 THz. The critical radii of the inside and outside cylinders have been found for the high-quality transmission. The large inside radius and the high transmission frequency result in a flat transmission loss coefficient curve. As a strictly two-dimensional material, the double graphene surface rings perform better to improve the quality of transmission mode. These results provide a new idea for the research of the long-distance THz waveguide.     

应用在线近红外光谱分析复烤前后原烟及片烟的质量特性

应用在2012年"中华"专用分拣复烤生产线中采集的7个产地的复烤前原烟和复烤后片烟的在线近红外光谱为试验资料,通过建立不同产地近红外光谱的投影分析模型,并结合方差及相关分析等,研究烟叶复烤前后的均一性及相似性等品质特征的变化,为客观的掌握烟叶原料质量及卷烟产品配方提供技术支撑。本研究结果表明,从数量庞大的在线近红外光谱中,按等间隔采样时间筛选约1万条左右用于建模分析可行,取样代表性充分;经人工分拣、打叶、复烤后的各产地烟叶近红外光谱的均一性提高幅度可达10%~35%,烟叶品质的均质化程度显著提高;同时复烤后各产地烟叶所体现的相似性关系亦发生了变化,从整体上其相似性显著降低,即由产地体现的风格品质差异显著提升,为优质卷烟的原料配方设计提供了更大空间,体现了我国烟草企业生产优质中式卷烟需要消耗大量财力、人力进行烟叶复烤加工的必要性。传统的化学分析等手段需要花费大量的时间和精力,难以对整个加工环节进行控制,近红外光谱技术以其快速、无损的优势,不仅能够实现待测样品成分含量等的实时检测与质量控制,而且应用生产过程中的大量近红外光谱,可以从多角度进行有关产品品质信息的充分挖掘,是一种在众多行业特别是农产品和食品加工行业中极具应用前景的在线分析检测技术。     

3d过渡金属Co掺杂核壳结构硅纳米线的第一性原理研究

基于密度泛函理论的第一性原理计算,研究了横截面为五边形和六边形的核壳结构硅纳米线的过渡金属Co原子替代掺杂.通过比较形成能发现,核心位置掺杂、壳层单链掺杂以及外壳层全替代掺杂的硅纳米线都具有稳定性,其中核心位置掺杂结构的稳定性最高.掺杂体系均呈现金属性,随着掺杂浓度的增加,电导通道数增加.Co原子掺杂的硅纳米线呈现铁磁性,具有磁矩.Bader电荷分析表明,电荷从Si原子转移至过渡金属Co原子.与自由态时过渡金属Co原子的磁矩相比,体系中Co原子的磁矩有所降低,这主要是由Co原子4s轨道向3d/4p轨道的电荷转移以及4s,3d,4p的上自旋电子转移至下自旋导致的.