丁基羟基茴香醚的太赫兹时域光谱检测与分析

利用太赫兹时域光谱（THz-TDS）技术对食品添加剂丁基羟基茴香醚（BHA）及其与聚乙烯不同配比的混合物进行了检测,获得了其在0.2-2.6THz波段的吸收谱和折射率谱。实验结果表明,在此波段内该物质有三个明显的吸收峰,分别位于0.64THz,1.14THz和1.81THz,该指纹谱可用于THz波段该物质的检测与识别。此外,利用最小二乘法对混合物太赫兹光谱峰位的吸收系数和质量分数进行线性拟合,结果表明聚乙烯中丁基羟基茴香醚的含量与太赫兹光谱的相关系数大于0.98。最后,用密度泛函理论对单分子丁基羟基茴香醚进行了数值计算,表明太赫兹指纹谱与分子构型和分子内部运动有关系。     

有机半导体Butyl-PBD的DFT理论计算研究

采用密度泛函理论(DFT)方法对2-(4-叔丁苯基)-5-(4-联苯基)-1,3,4-恶二唑(Butyl-PBD)进行了B3LYP/6-31G水平上的分子结构优化、红外光谱、Raman光谱、紫外-可见光谱、分子前线轨道、分子电子密度、Mulliken电荷等理论计算.研究结果表明:理论计算结果与实验数据吻合得较好,对IR、THz、UV-Vis吸收光谱和Raman散射光谱中的特征峰进行了归属,发现Butyl-PBD在0.1～10 THz波谱范围内有五个明显的吸收峰,分别位于2.04THz、3.48THz、5.16THz、6.60THz及7.08THz,Butyl-PBD在紫外光波段有三个吸收波段,分别对应于326.76nm、279.60nm及269.31 nm,其中326.76nm的紫外吸收峰最强.电子密度计算表明,最大电子密度集中在O原子上,N原子的电子密度次之.Mulliken电荷计算表明,负电荷主要集中在O原子和N原子上,所有H原子的Mulliken电荷都为正电荷,C原子的Mulliken电荷则与其具体位置相关.     

基于太赫兹时域光谱技术的农药残留检测方法

太赫兹时域光谱(THz-TDS)技术是近年来涌现出来的崭新的光谱测量新技术.本研究提出了一种基于THz-TDS技术农药残留检测方法,并以灭多威和乙氧氟草醚两种农药作为实验介质证明此方法的可行性.应用太赫兹时域光谱系统测得了这两种农药的时域光谱信号,利用基于菲涅尔公式的数据处理模型得到了它们在THz波段的折射率谱和吸收系数谱.从实验结果可以看出两种农药在0.2~2.0THz范围内存在明显的特征吸收峰,且差别很大.经分析认为这些吸收峰是由分子的集体振动模式以及分子间相互作用引起,它们是农药分子的指纹吸收光谱,可以应用于分子识别中.本研究证明了THz-TDS技术应用于农药残留检测的可行性,表明其在农药残留检测中具有潜在的应用价值.     

FOX-7太赫兹波吸收特性及理论计算

为了研究新型高能钝感材料1,1-二氨基-2,2-二硝基乙烯(FOX-7)的分子结构特性,采用太赫兹时域光谱技术对FOX-7在0.2~2.3 THz波谱范围内的吸收光谱进行了探测,得到了待测样品的太赫兹吸收谱线,确定了其特征吸收峰的位置.基于密度泛函理论(DFT)对FOX-7单分子和晶体结构在小于2.4 THz范围内的吸收光谱进行了模拟计算,结果表明分子间相互作用对FOX-7吸收峰的形成起到很大的作用.完成了对实验光谱中特征吸收峰振动模式的分析和指认:1.59 THz处吸收峰的光谱特征主要由―NO2和―NH2的摆动造成,2.12 THz 处吸收峰光谱特征的产生包含―NO2和―NH2的摆动以及各自的扭动.     

OLED绿光掺杂剂DMQA的DFT理论计算研究

采用密度泛函理论(DFT)方法对N,N'-二甲基喹吖啶酮(DMQA)进行了B3LYP/6-31G水平上的分子结构优化、红外光谱、Raman光谱、紫外.可见光谱、分子前线轨道、分子电子密度、Mulliken电荷等理论计算.研究结果表明:理论计算结果与实验数据吻合得较好,对IR、THz、UV-Vis吸收光谱和Raman散射光谱中的特征峰进行了归属,发现DMQA在0.1～10 THz波谱范围内有6个明显的吸收峰,分别位于1.43、2.95、3.81、4.13、6.26以及9.68THz,DMQA在紫外.可见光波段的457.26、386.76及377.37 nm有三个吸收峰,其中457.26 nm的可见光吸收峰最强.电子密度计算表明,最大电子密度集中在O原子和N原子上,O原子的电子密度高于N原子的电子密度.Mulliken电荷计算表明,负电荷主要集中在N原子和O原子上,N原子的Mulliken电荷密度绝对值大于O原子的Mulliken电荷密度绝对值.     

有机半导体苝的DFT理论计算研究

采用密度泛函理论(DFT)方法对苝进行了B3LYP/6-31G水平上的分子结构优化、IR光谱、Raman光谱、THz光谱、UV-Vis光谱、分子前线轨道、分子电子密度、Mulliken电荷等理论计算。研究结果表明:理论计算结果与实验数据吻合得较好,对IR、THz、UV-Vis吸收光谱和Raman散射光谱中的特征峰进行了归属,发现苝的THz光谱有三个特征吸收峰,它们分别位于2.94、5.46和7.77 THz,其中5.46 THz的吸收是最强的,它是由以C4-C1-C11-C16为轴的苝分子面外对称弯曲振动产生的。苝在UV-Vis光波段有三个吸收峰,峰值波长分别位于420.79、328.14及303.80 nm,其中420.79nm的紫外吸收峰最强。前线轨道计算表明苝分子的HOMO与LUMO能量差值为3.077eV,它与用UV-Vis的理论计算能隙2.946eV仅有0.131eV(4.45%)的偏差。     

维甲酸和叶酸的太赫兹光谱

利用太赫兹时域光谱技术（THz-TDS）在室温下对两种抗肿瘤维生素类药物维甲酸和叶酸在0.2～1.8 THz范围内进行了光谱测量,得到对应的吸收谱和折射率谱,发现叶酸和维甲酸在太赫兹波段都有明显的特征吸收峰,可作为其在太赫兹波段的指纹谱用于药物分子识别。同时,采用Gaussian03软件进行了单分子的密度泛函理论模拟,模拟中采用B3LYP结合高斯型基组6～31 G（d,p）,理论计算与实验结果基本吻合。另外,采用Gaussian-View3.0对叶酸和维甲酸在THz波段的特征吸收峰进行了指认。结果证明:利用太赫兹光谱技术结合密度泛函理论模拟对两种抗肿瘤维生素类药物分子识别及其新药研制具有一定的参考意义。     

有机半导体ADN的DFT理论计算研究

采用密度泛函理论( DFT)方法对9,10-二(2-萘基)蒽(ADN)进行了B3LYP/6-31G水平上的分子结构优化、红外光谱、Raman光谱、紫外-可见光谱、分子前线轨道、Mulliken电荷等理论计算.研究结果表明:理论计算结果与实验数据吻合得较好,对IR、THz、UV-Vis吸收光谱和Raman散射光谱中的特征峰进行了归属,发现ADN在0.1～10 THz波谱范围内有5个明显的吸收峰,分别位于1.08、2.52、4.44、5.64及6.60 THz,其中5.64 THz的吸收是最强的,它是由萘环面外弯曲及蒽环面内摇摆振动产生的.ADN在紫外光波段有三个吸收峰,分别对应于386.34、352.98及352.50 nm,其中386.34 nm的紫外吸收峰最强.ADN理论计算能隙值为3.516 eV,比实验值3.2 eV略高.ADN的Mulliken电荷计算表明,所有H原子的Mulliken电荷皆为正电荷,C原子Mulliken电荷与其具体的化学环境相关.     

α-乳糖一水合物太赫兹动力学研究

乳糖一水合物是一种重要的水合物,其结合水对乳糖分子结构的影响一直是相关领域的研究热点之一。利用太赫兹时域光谱技术通过设置温度梯度对α-乳糖一水合物进行低温下的太赫兹动力学研究,发现α-乳糖一水合物在1.2 THz、1.3 THz的2个吸收峰随温度变化而红移。为进一步探究其吸收峰的产生机理,基于密度泛函理论对α-乳糖一水合物分别进行了单分子和晶胞理论计算并分析了α-乳糖一水合物的吸收峰振动模式。结果表明, α-乳糖一水合物的吸收峰来源于水分子和乳糖分子间的相互作用以及乳糖分子骨架振动,晶胞计算比单分子计算对于太赫兹波段内振动模式的预测更加准确。     

钝感RDX及HMX炸药的太赫兹光谱分析

采用太赫兹时域光谱技术（Terahertz time-domain spectroscopy,THz-TDS）对钝感RDX（黑索金）和HMX（奥克托金）炸药在0～2.5THz频段的太赫兹吸收光谱进行了探测.得到了待测样品的太赫兹吸收光谱,确定了其特征吸收峰的位置并与其他研究机构所测吸收谱进行了对比分析.实验结果表明：利用THz-TDS技术可以对炸药进行检测和识别,同时可以对样品组成的细微变化进行分析和鉴别.为利用THz-TDS技术研究其他爆炸性物质,建立爆炸物的指纹谱库提供了科学依据.     

Resolution Enhancement Technology:Integrated Process Solutions using OPC

DUV lithography, using the 248 nm wavelength, is a viable manufacturing option for devices with features at 130 nm and less. Given the low kl value of the lithography, integrated process development is a necessary method for achieving acceptable process latitude. The application of assist features for rule based OPC requires the simultaneous optimization of the mask, illumination optics and the resist.Described in this paper are the details involved in optimizing each of these aspects for line and space imaging.A reference pitch is first chosen to determine how the optics will be set. The ideal sigma setting is determined by a simple geometrically derived expression. The inner and outer machine settings are determined, in turn,with the simulation of a figure of merit. The maximum value of the response surface of this FOM occurs at the optimal sigma settings. Experimental confirmation of this is shown in the paper.Assist features are used to modify the aerial image of the more isolated images on the mask. The effect that the diffraction of the scattering bars (SBs) has on the image intensity distribution is explained. Rules for determining the size and placement of SBs are also given.Resist is optimized for use with off-axis illumination and assist features. A general explanation of the material' s effect is discussed along with the affect on the through-pitch bias. The paper culminates with the showing of the lithographic results from the fully optimized system.     

Cost-effective test solutions for smart card and other integrated flash applications

From its emergence in the late 1980s as a lower cost alternative to early EEPROM technologies, flash memory has evolved to higher densities and speedsand rapidly growing acceptance in mobile applications.In the process, flash memory devices have placed increased test requirements on manufacturers. Today, as flash device test grows in importance in China, manufacturers face growing pressure for reduced cost-oftest, increased throughput and greater return on investment for test equipment. At the same time, the move to integrated flash packages for contactless smart card applications adds a significant further challenge to manufacturers seeking rapid, low-cost test.     

Theoretical analysis of the relationship between the Brillouin gain coefficient and the strain in the optical-fiber sensors

The relation between the power of the Brillouin signal and the strain is one of the bases of the distributed fiber sensors of temperature and strain. The coefficient of the Bfillouin gain can be changed by the temperature and the strain that will affect the power of the Brillouin scattering. The relation between the change of the Brillouin gain coefficient and the strain is thought to be linear by many researchers. However, it is not always linear based on the theoretical analysis and numerical simulation. Therefore, errors will be caused if the relation between the change of the Brillouin gain coefficient and the strain is regarded as to be linear approximately for measuring the temperature and the strain. For this reason, the influence of the parameters on the Brillouin gain coefficient is proposed through theoretical analysis and numerical simulation.     

An improved parallel thinning algorithm with two subiterations

The parallel thinning algorithm with two subiterations is improved in this paper. By analyzing the notions of connected components and passes, a conclusion is drawn that the number of passes and the number of eight-connected components are equal. Then the expression of the number of eight-connected components is obtained which replaces the old one in the algorithm. And a reserving condition is proposed by experiments, which alleviates the excess deletion where a diagonal line and a beeline intersect. The experimental results demonstrate that the thinned curve is almost located in the middle of the original curve connectivelv with single pixel width and the processing speed is high.     

Novel fiber-optical interferometer with miniaturized probe for in-hole measurements

Today, micro-system technology and the development of new MEMS （Micro-Electro-Mechanical Systems） are emerging rapidly. In order for this development to become a success in the long run, measurement systems have to ensure product quality. Most often, MEMS have to be tested by means of functionality or destructive tests. One reason for this is that there are no suitable systems or sensing probes available which can be used for the measurement of quasi inaccessible features like small holes or cavities. We present a measurement system that could be used for these kinds of measurements. The system combines a fiber optical, miniaturized sensing probe with low-coherence interferometry, so that absolute distance measurements with nanometer accuracy are possible.     

Development of the readout system for waveguide multilayer optical card

Waveguide multilayer optical card （WMOC） is a novel storage device of three-dimensional optical information. An advanced readout system fitting for the WMOC is introduced in this paper. The hardware mainly consists of the light source for reading, WMOC, motorized stages addressing unit, microscope imaging unit, CCD detecting unit and PC controlling ＆ processing unit. The movement of the precision motorized stage is controlled by the computer through Visual Basic （VB） language in software. A control panel is also designed to get the layer address and the page address through which the position of the motorized stages can be changed. The WMOC readout system is easy to manage and the readout result is directly displayed on computer monitor.     

Study of waveguide coupling efficiency in hybrid silicon lasers

This paper presents a new method to increase the waveguide coupling efficiency in hybrid silicon lasers. We find that the propagation constant of the InGaAsP emitting layer can be equal to that of the Si resonant layer through improving the design size of the InP waveguide. The coupling power achieves 42% of the total power in the hybrid lasers when the thickness of the bonding layer is 100 nm. Our result is very close to 50% of the total power reported by Intel when the thickness of the thin bonding layer is less than 5 nm. Therefore, our invariable coupling power technique is simpler than Intel＇s.     

Collinear phase-matching study of terahertz-wave generation via difference frequency mixed in GaAs and Inp

The collinearly phase-matching condition of terahertz-wave generation via difference frequency mixed in GaAs and InP is theoretically studied. In collinear phase-matching, the optimum phase-matching wave hands of these two crystals are calculated. The optimum phase-matching wave bands in GaAs and lnP are 0.95-1.38μm and 0.7-0.96μm respectively. The influence of the wavelength choice of the pump wave on the coherent length in THz-wave tuning is also discussed. The influence of the temperature alteration on the phase-matching and the temperature tuning properties in GaAs crystal are calculated and analyzed. It can serve for the following experiments as a theoretical evidence and a reference as well.     

Effects of the alloy compositions on the phonon-polaritons in ternary mixed crystals

Composition dependence of bulk and surface phonon-polaritons in ternary mixed crystals are studied in the framework of the modified random-element-isodisplacement model and the Bom-Huang approximation. The numerical results for Several Ⅱ - Ⅵ and Ⅲ- Ⅴ compound systems are performed, and the polariton frequencies as functions of the compositions for ternary mixed crystals AlxGa1-xAs, GaPxAS1-x, ZnSxSe1-x, GaAsxSb1-x, GaxIn1-xP, and ZnxCd1-xS as examples are given and discussed. The results show that the dependence of the energies of two branches of bulk phonon-polaritons which have phonon-like characteristics, and surface phonon-polaritons on the compositions of ternary mixed crystals are nonlinear and different from those of the corresponding binary systems.     

New insert layer structure OLEDs

An insert layer structure organic electroluminescent device（OLED） based on a new luminescent material （Zn（salen）） is fabricated. The configuration of the device is ITO/CuPc/NPD/Zn（salen）/Liq/LiF/A1/CuPc/NPD/Zn（salen）/Liq/LiF/A1. Effective insert electrode layers comprising LiF（1nm）/Al（5 nm） are used as a single semitransparent mirror, and bilayer cathode LiF（1 nm）/A1（100 nm） is used as a reflecting mirror. The two mirrors form a Fabry-Perot microcavity and two emissive units. The maximum brightness and luminous efficiency reach 674 cd/m^2 and 2.652 cd/A, respectively, which are 2.1 and 3.7 times higher than the conventional device, respectively. The superior brightness and luminous efficiency over conventional single-unit devices are attributed to microcavity effect.