First-principles study of the co-effect of carbon doping and oxygen vacancies in ZnO photocatalyst

Although tuning band structure of optoelectronic semiconductor-based materials by means of doping single defect is an important approach for potential photocatalysis application,C-doping or oxygen vacancy(Vo)as a single defect in ZnO still has limitations for photocatalytic activity.Meanwhile,the influence of co-existence of various defects in ZnO still lacks sufficient studies.Therefore,we investigate the photocatalytic properties of ZnOx C0.0625(x=0.9375,0.875,0.8125),confirming that the co-effect of various defects has a greater enhancement for photocatalytic activity driven by visible-light than the single defect in ZnO.To clarify the underlying mechanism of co-existence of various defects in ZnO,we perform systematically the electronic properties calculations using density functional theory.It is found that the coeffect of C-doping and Vo in ZnO can achieve a more controllable band gap than doping solely in ZnO.Moreover,the impact of the effective masses of ZnO_xC_0.0625(x=0.9375,0.875,0.8125)is also taken into account.In comparison with heavy Vo concentrations,the light Vo concentration(x=0.875)as the optimal component together with C-doping in ZnO,can significantly improve the visible-light absorption and benefit photocatalytic activity.     

表面活性剂对3-甲基吡啶电氧化制取烟酸的影响

研究了在阳极液中加入不同类型和不同浓度表面活性剂对3-甲基吡啶电氧化的影响. 结果表明, 十六烷基三甲基溴化铵、脂肪醇聚氧乙烯醚硫酸钠、十二烷基苯磺酸钠、十二烷基二甲基甜菜碱和山梨醇酐单硬脂酸酯的胶团对3-甲基吡啶电氧化有明显的促进作用. 实验结果还表明, 在低浓度的硫酸为支持电解质阳极液中加入表面活性剂与不加表面活性剂相比, 3-甲基吡啶电氧化制取烟酸的选择性和电流效率明显提高.     

The QE numerical simulation of PEA semiconductor photocathode

Several kinds of models have already been proposed to explain the photoemission process. The exact photoemission theory of the semiconductor photocathode was not well established after decades of research. In this paper an integral equation of quantum efficiency (QE) is constructed to describe the photoemission of positive electron affinity (PEA) of the semiconductor photocathode based on the three-step photoemission model. Various factors (e.g., forbidden band gap, electron affinity, photon energy, incident angle, degree of polarization, refractive index, extinction coefficient, initial and final electron energy, relaxation time, external electric field and so on) have an impact on the QE of the PEA semiconductor photocathode, which are entirely expressed in the QE equation. In addition, a simulation code is also programmed to calculate the QE of the K₂CsSb photocathode theoretically at 532 nm wavelength. By and large, the result is in line with the expected experimental value. The reasons leading to the distinction between the experimental and theoretical QE are discussed.     

100 MeV电子直线加速器的物理设计

 能量为100 MeV左右的高性能电子直线加速器是第三代同步辐射光源注入器和自由电子激光注入器的重要组成部分，采用热阴极栅控电子枪、聚束系统和4根SLAC型加速管作为加速器主体结构，一套45 MW的速调管调制器系统和波导系统作为微波功率源系统。设计中，使用了国际通用的模拟软件对加速器的动力学特性进行了数值模拟和参数优化，电子束能量达到100 MeV以上，能散小于1%，归一化发射度小于30 mm·mrad。     

茶叶中有效成分的提取

１实验目的 茶是我国的传统饮品。茶具有化痰消食、利尿解毒等功能,而这些功能都与茶中有效成分有关。 茶叶中化学成分的研究始于１８２７年人们在茶叶中发现嘌呤碱化合物。之后,随着科学技术的发展和进步,迄今已在茶叶中鉴定出４５０种以上的有机成分和１５种以上的无机元素。茶叶中的生物碱又以咖啡因为主。咖啡因的含量一般为２％～４％。咖啡因具有提神醒脑、兴奋中枢神经的作用。茶多酚是一种天然抗氧化剂,它占茶叶重量的１５％～３０％。茶多酚是大量酚类衍生物的混合物。至今人们在茶多酚中发现了十多种儿茶素,占多酚物质的８０…     

包埋Ru（bpy）3C12非线性光催化薄膜在图像处理中的应用

用so1-gel法以正硅酸乙酯、乙醇和蒸馏水为原料，以盐酸为催化剂，包埋三联吡啶钌[Ru(bpy)3C12]制备催化Belousov-Zhabotinsky(BZ)反应的非线性光催化薄膜，并利用紫外分光光度法测定了在薄膜中Ru(bpy)3Cl2的包埋量．通过投影图像的方法光激发BZ反应，在包埋Ru(bpy)3C12的薄膜上产生化学波图像．在薄膜中演化形成的图像具有相当高的图像清晰度．在图像的演化过程中，具有图像反转、边界增强、图像分割等图像处理能力，并可以通过改变BZ反应条件来调控增强某些图像处理能力．     

核壳乳液在电解质作用下的破乳过程

核壳乳液在电解质作用下的破乳过程;分光光度计;核壳乳液;电解质;乳液破乳     

层状铁基超导体的Ginzburg-Landau方程（英文）

基于铁基超导体的多带能隙特征,采用两带模型,假设带内电子配对为各项同性,带间电子配对序参量为coskxcosky形式.利用Gro′kov理论,推导了层状铁基超导体的二维Ginzburg-Landau方程,并给出了自由能密度和垂直于二维载流子运动平面的上临界场表达式.计算表明,上临界场在转变温度附近随温度变化的曲线呈对数形,该特征与最近的一些实验结果相符合,并且与三维体系的上临界场有显著不同,这一特点是由系统的准二维特征所决定.     

束流诊断虚拟加速器环境开发

为了更好的测试控制方法和开发上层控制软件,本文提出了一种基于ELEGANT和SDDS Toolkit的虚拟加速器环境。在这个虚拟环境下,可以将底层物理模拟软件与上层控制软件通过EPICS控制通道及Matlab脚本进行数据分析及处理。本文描述了在该虚拟加速器环境中束流参数测量和轨道控制等软件的开发和测试,并探讨了该虚拟加速器的设计理念和未来可能的应用。     

Effect of size polydispersity on the structural and vibrational characteristics of two-dimensional granular assemblies

Two-dimensional disordered granular assemblies composed of 2048 polydispersed frictionless disks are simulated using the discrete element method. The height of the first peak of the pair correlation function, g1, the local and global gbond orientational parameters lψ6and ψ6, and the fluctuations of these parameters decrease with increasing polydispersity s,implying the transition from a polycrystalline state to an amorphous state in the system. As s increases, the peak position of the boson peak ωBP shifts towards a lower frequency and the intensity of the boson peak D(ωBP)/ωBP increases, indicating that the position and the strength of the boson peak are controlled by the polydispersity of the system. Moreover, the inverse of the boson peak intensity ωBP/D(ωBP), the shear modulus G, and the basin curvature SIS all have a similar dependence on s, implying that the s dependence of the vibrational density of states at low frequencies likely originates from the s dependence of the basin curvature.