四氧杂卟啉二价正离子共振拉曼光谱的TDDFT计算研究

采用DFT/TDDFF计算和极化率的态求和方法研究了四氧杂卟啉二价正离子(TOP²⁺)B态(S₂态)激发的共振拉曼(RR)光谱, 计算模型同时处理了A项和B项对拉曼极化率的贡献.用PBE1PBE、B3LYP、Cam-B3LYP、B3LYP-D3四种交换-相关泛函计算得到的RR光谱总体上相似,其中PBE1PBE和B3LYP 给出的RR 强度与实验吻合得更好一些. 对于全对称振动(A_1g),其拉曼谱带相对强度的理论计算结果与实验一致;TDDFF计算表明： 相对于基态,TOP²⁺的B态沿υ2、υ6、υ7、υ8简正模式有较大的无量纲位移, 导致相应的RR带有较大的强度. 非全对称的B_1g和B_2g 模式通过B项机理增强,其强度比A_1g模式小1～2个量级,与实验结果定性符合. 与实验相比,υ10模式(B_1g)RR强度的理论值过小,而υ11模式(B_1g)的理论值偏大;这可能是由于TOP²⁺的B-态(S₂态)具有Jahn-Teller效应.     

三电极共面介质阻挡放电的放电特性及诱导气流实验研究

等离子体流动控制激励器由于其响应速度快、激励频带宽、能量损耗低、可靠性强的优势,在航空航天领域的主动流动控制等方面得到了广泛应用.文章提出了一种新型的等离子体气动激励器——三电极共面介质阻挡放电激励器,研究了该激励器电极结构对放电特性和诱导气流速度的影响,并与传统共面介质阻挡放电和沿面介质阻挡放电激励器进行了比较.结果表明:（1）随着激励电压的提高,高压电极和地电极之间先出现了丝状放电并逐渐延伸到第三电极;（2）随着第三电极与高压电极之间的距离增大,诱导气流速率从2.4 m/s下降到0 m/s,而第三电极宽度的变动对诱导气流速度影响可忽略不计;（3）相同外部条件下,该激励器诱导的气流速度小于沿面介质阻挡放电激励器,但高于共面介质阻挡放电激励器.      

QUASILINEAR-ADDITIVE PROPERTIES AND APPLICATIONS

In this article, the authors study some basic properties of the so-called quasilinear- additive functions, and some applications to the special functions of quasiconformal analysis are specified.     

聚合物费米型截面阵列波导光栅的优化设计

利用微扰理论给出"等效矩形波导法",分析了费米型截面硅基聚合物阵列波导光栅的传输特性.模拟表明,波导的费米型截面将使阵列波导光栅的传输光谱产生漂移、并使串扰增大.为了消除光谱漂移、减小串扰、实现正常的解复用功能,对阵列波导光栅的结构参量进行了重新优化.结果表明,重新设计的费米型截面聚合物阵列波导光栅的光谱响应和串扰恢复到初始设计的聚合物矩形截面阵列波导光栅的水平.     

微型高温超导磁通泵的研制

本文给出了一种用高温超导体制作的微型磁通泵,对其工作原理进行了仔细分析研究.依照设计研制了磁通泵装置,并对其工作性能进行了初步测试.结果表明,该微型高温超导磁通泵有希望为电阻在1μΩ以内的高温超导闭合环路进行供电.切实克服高温超导接头性能不佳、n指数低等缺陷,有助于Bi系等高温超导带材在超导磁体闭环系统的应用.     

HKC细胞损伤对草酸钙晶体成核和聚集的促进作用

采用H2O2对人肾小管上皮细胞(HKC)进行损伤. HKC损伤后,其活力降低,并表达骨桥蛋白(OPN). 损伤细胞促进草酸钙晶体的成核、聚集,并促进一水草酸钙(COM)晶体的形成,但对晶体生长的促进作用不明显. 本文结果提示,HKC细胞损伤后增加了肾结石形成的危险性.     

孔径可调的介孔SiO2自支持薄膜的溶剂挥发诱导自组装合成与表征

以十六烷基三甲基溴化铵(CTAB)为模板剂, 正硅酸乙酯为硅源, 在弱酸性条件下利用溶剂挥发诱导自组装(EISA)合成出具有介孔结构的二氧化硅薄膜. 通过控制EISA过程中溶剂挥发的环境, 可在1.4~3.1 nm的范围内调节介孔结构的孔径. 实验表明, 较快的溶剂挥发速率有助于较大孔径的介孔结构生成. 用该方法合成的介孔薄膜具有蠕虫状孔道结构和良好的孔径均一性. 在外观上, 该薄膜具有均匀、透明和无缺陷等特点, 可以自支撑, 并且具有一定的韧性.     

Influence of AlN buffer layer thickness on structural properties of GaN epilayer grown on Si (111) substrate with AlGaN interlayer

We present the growth of GaN epilayer on Si (111) substrate with a single AlGaN interlayer sandwiched between the GaN epilayer and AlN buffer layer by using the metalorganic chemical vapour deposition. The influence of the AlN buffer layer thickness on structural properties of the GaN epilayer has been investigated by scanning electron microscopy, atomic force microscopy, optical microscopy and high-resolution x-ray diffraction. It is found that an AlN buffer layer with the appropriate thickness plays an important role in increasing compressive strain and improving crystal quality during the growth of AlGaN interlayer, which can introduce a more compressive strain into the subsequent grown GaN layer, and reduce the crack density and threading dislocation density in GaN film.     

Synthesis and characterization of p-type boron-doped IIb diamond large single crystals

High-quality p-type boron-doped IIb diamond large single crystals are successfully synthesized by the temperature gradient method in a china-type cubic anvil high-pressure apparatus at about 5.5 GPa and 1600 K.The morphologies and surface textures of the synthetic diamond crystals with different boron additive quantities are characterized by using an optical microscope and a scanning electron microscope respectively.The impurities of nitrogen and boron in diamonds are detected by micro Fourier transform infrared technique.The electrical properties including resistivities,Hall coefficients,Hall mobilities and carrier densities of the synthesized samples are measured by a four-point probe and the Hall effect method.The results show that large p-type boron-doped diamond single crystals with few nitrogen impurities have been synthesized.With the increase of quantity of additive boron,some high-index crystal faces such as {113} gradually disappear,and some stripes and triangle pits occur on the crystal surface.This work is helpful for the further research and application of boron-doped semiconductor diamond.