新型含氧亚甲基和亚胺桥键液晶化合物分子结构与光谱的密度泛函理论研究

采用密度泛函理论方法在B3LYP/6-31G*水平上对6个新型含氧亚甲基和亚胺桥键液晶化合物分子的几何结构进行优化计算,讨论了取代基H,CH3,CH3O,C2H5O,NO2,Cl对分子电荷、前线轨道能量和电子吸收光谱等性质的影响.在此基础上使用含时密度泛函理论方法计算了分子第一激发态的电子垂直跃迁能,得到最大吸收波长λmax.计算表明,取代基的引入导致最大吸收波长红移.     

脉冲放电等离子体烟气脱硫脱硝工业试验

脉冲放电等离子体烟气治理技术具有流程简单，一次投资成本低，无二次污染，可同时脱硫脱硝，形成的副产物可回收利用等特点。     

Influence of Yb-Doped Nanoporous TiO2 Films on Photovoltaic Performance of Dye-Sensitized Solar Cells

Yb-doped TiO2 pastes with different Yb/TiO2 weight ratios are prepared in the sol-gel process to obtain dyesensitized solar cells （DSCs）. The nanocrystalline size of Yb-TiO2 becomes smaller and the lattice parameters change. Lattice distortion is observed and dark current is detected. It is found that a part of Yb existing as insulating oxide Yb2O3 state acts as barrier layers at the electrode-electrolyte interface to suppress charge recombination. A Yb-doped TiO2 electrode applied in DSCs leads to a higher open-circuit voltage and a higher fill factor. How the Yb-doped TiO2 films affect the photovoltaic response of DSCs is discussed.     

Synthesis of GaN Nanorods by Ammoniating Ga2O3/ZnO Films

Large quantities of CaN nanorods are successfully synthesized on Si（111） substrates by ammoniating the films of Ga2O3/ZnO at 950℃ in a quartz tube. The structure, morphology and optical properties of the as-prepared CaN nanorods are studied by x-ray diffraction, scanning electron microscopy, high-resolution transmission electron microscopy, Fourier transform infrared spectroscopy, and photoluminescence. The results show that the CaN nanorods have a hexagonal wurtzite structure with lengths of several micrometres and diameters from 80 nm to 300hm, which could supply an attractive potential to harmonically incorporate future GaN optoelectronic devices into Si-based large-scale integrated circuits. The growth mechanism is also briefly discussed.     

基于可见-近红外光谱技术预测茶鲜叶全氮含量

为快速无损监测茶树氮素营养及其生长状况,基于可见-近红外光谱技术建立了茶鲜叶全氮含量的预测模型。以茶鲜叶为对象,田间试验使用便携式光谱仪采集叶片漫反射光谱信息,通过不同预处理和统计分析,建立茶鲜叶全氮含量预测的光谱模型。试验共采集111个样品,其中86个样品作校正集,25个样品作预测集。通过一阶导数与滑动平均滤波相结合的预处理方法,用7个主成分建立的偏最小二乘模型最好,其校正集均方根误差(RMSEC)为0.097 3,预测集的相关系数为0.888 1,预测均方根误差(RMSEP)为0.130 4,预测的平均相对误差为4.339%。研究结果表明,利用可见-近红外光谱技术可以很好地预测茶鲜叶全氮含量,对于快速实时监测茶树长势和施肥管理具有重要指导意义。     

Realization of MMI Power Splitter by UV-light Imprinting Technique Using Hybrid Sol-Gel SiO2 Materials

An efficient fabrication scheme of buried ridge waveguide devices is demonstrated by UV-light imprinting technique using organic-inorganic hybrid sol-gel Zr-doped SiO2 materials. The refractive indices of a guiding layer and a cladding layer for the buried ridge waveguide structure are 1.537 and 1.492 measured at 1550nm, respectively. The tested results show more circular mode profiles due to existence of the cladding layer. A buried ridge single-mode waveguide operating at 1550 nm has a low propagation loss （0.088 dB/cm） and the 1× 2 MMI power splitter exhibits uniform outputs, with a very iow splitting loss of 0.029 dB at 1549nm.     

新郑西亚斯东周玉器材料属性与加工工艺的科技分析

中国玉文化源远流长,治玉工艺经过各个时代的不断发展和完善,在一定程度上能反映古代社会生产力发展水平及文化、贸易、技术交流等信息。利用能量色散型X射线荧光光谱（EDXRF）、激光拉曼光谱（LRS）、超景深光学显微系统（OM）等分析技术,结合硅胶覆膜微痕复制技术,对河南省新郑西亚斯东周墓地出土的一批玉器进行科技分析。首先利用化学成分和物相结构分析技术确定了玉器材质的矿物属性,其次利用显微分析技术表征了玉器表面及穿孔内部和印模的加工痕迹,特别是阴刻纹饰和穿孔微痕特征,最后探讨了玉器样品的材料属性和加工工艺两者之间的联系。化学成分和物相结构分析结果表明,所分析的西亚斯东周玉器材质丰富,主要矿物组成有滑石、透闪石、水晶、云母等。玉器表面纹饰微痕特征分析表明,所分析玉器阴刻工艺采用了两种加工工具,分别是砣具和手持硬质工具。穿孔微痕分析特征表明,钻孔包括单面钻孔和双面/多面钻孔两种方式,钻孔工艺则有实心钻、管钻等。部分玉器钻孔形状和内部微痕特征表明,尽管均采用了实心钻工艺,但所采用的实心钻头在形状上存在差异,同时,也存在是否配合解玉砂进行钻孔的差异。不同材料属性的玉器采用了不同的加工工艺。滑石质玉器,莫氏硬度1,器型主要为玉片饰,其表面阴刻纹饰主要采用手持硬质工具进行刻画,钻孔主要采用了双面钻孔方式,并使用了实心钻头未添加解玉砂进行加工,钻头形状可能为圆锥状;云母质玉器,莫氏硬度2~3,器型主要为玉玦片饰,纹饰采用了砣具添加解玉砂的加工工艺,钻孔方式为单面钻孔,采用了管钻工艺。透闪石型玉器,莫氏硬度5~6,器型主要为玉片饰,表面纹饰采用砣具配合解玉砂砣刻,以双面钻孔的方式为主,钻孔工艺为实心钻头配合解玉砂工艺,钻头形状与滑石类样品一致,为圆锥状。水晶质玉器,莫氏硬度7,均为珠饰,表面无纹饰,钻孔方式为双面/多面钻孔,钻孔工艺为实心钻配合解玉砂工艺,且钻头可能为圆柱形。研究结果表明,玉器表面纹饰所采用的阴刻工艺和钻孔工艺,与玉器本身的材料属性、器型等存在密切关系。     

Nonlocal symmetries and similarity reductions for Korteweg-de Vries-negative-order Korteweg-de Vries equation

The nonlocal symmetries are derived for the Korteweg–de Vries–negative-order Korteweg–de Vries equation from the Painlevétruncation method.The nonlocal symmetries are localized to the classical Lie point symmetries for the enlarged system by introducing new dependent variables.The corresponding similarity reduction equations are obtained with different constant selections.Many explicit solutions for the integrable equation can be presented from the similarity reduction.