纳米TiO2∶Zn薄膜电极紫外光电特性研究

采用sol-gel法制备了Zn2+掺杂的锐钛矿相纳米TiO2薄膜电极.通过光电流作用谱和电流-电位（I-U）曲线研〖WTBZ〗究了掺杂不同浓度Zn2+的TiO2薄膜电极的光电特性.由光电流作用谱可知，Zn2+的掺杂可显著影响薄膜电极的光电流大小，且掺杂的最佳浓度与薄膜晶粒尺度有关.在320nm单色光照射下，掺杂浓度（摩尔浓度）为0.1％的薄膜电极光电流最大，与未掺杂的本征薄膜电极相比增幅达40％.I-U曲线表明，光照下，随电极电位由正到负逐渐降低，不同掺杂浓度的TiO2薄膜电极中均出现了阳极电流向阴极电流转换的现象，且Zn2+掺杂浓度可影响电极阳极电流的初始电位.另外，无光照的暗态下，各薄膜在负电位区域观察到了相似的随电位降低而迅速增大的阴极暗电流.     

The electronic structure of the interface between thin conjugated oligomer films and inorganic substrates with different work function

In this work, a comparison of the interfacial electronic properties between a semiconducting oligomer and a variety of substrates with different properties—metal, semiconductor and oxide layers—is reported. The interface formation was studied by X-ray and Ultraviolet photoelectron spectroscopies (XPS, UPS). High purity oligomer films with thickness up to 10 nm were prepared by stepwise evaporation on the clean substrates under ultrahigh vacuum (UHV) conditions. Analysis of the oligomer and substrate related XPS spectra clarified the interfacial chemistry and band bending in the semiconducting materials. The valence band structure and the interfacial dipoles were determined by UPS. The barriers for hole injection were measured at the interfaces of the organic film with all substrates. The interfacial energy band diagrams were deduced in all cases from the combination of XPS and UPS results. Emphasis was given on the influence of the substrate work function (eΦ) on the electronic properties of these interfaces.     

The effect of local electronic interaction on the optical properties of boron–nitride nanotubes

We investigate the behavior of optical absorption of boron–nitride nanotubes (6,0) in the context of Hubbard model at the paramagnetic sector. GW approximation has been implemented in order to make self-energy matrix of electronic system. Afterwards, the real and imaginary parts of transverse dielectric functions have been obtained using linear response theory. The results show that the frequency gap in the optical absorption decreases with Coulomb repulsion strength. Moreover the results show that the local Coulomb interaction leads to the appearance of the excitonic effects in the optical spectrum. Finally the effects of electronic concentration on the frequency behavior of imaginary part of dielectric function have been investigated.     

电视摄象机测量误差探讨

本文简述了用电视摄象机进行工业尺寸测量的微分法与拟合法的基本原理,同时详细的讨论了各自所能达到的精度极限。本文用实验验证了理论计算的结果,最后对二维工件测量时,如何根据工件的不同形状与位置以及光学系统的特点,提出了在测量时工件的放置应该注意的问题以及对工件拐角处如何进行处理的方法。     

部分相干光在大气湍流中的到达角起伏

研究了部分相干高斯谢尔光束在大气湍流中的到达角起伏.主要采用湍流内外尺度的修正Von Karmon谱模型及广义惠更斯-菲涅尔原理和交叉谱密度函数推导出了部分相干光在大气湍流中的到达角起伏表达式.对比分析了湍流内外尺度、湍流强度、传输距离、源相干参数以及波长等参数对部分相干光在大气湍流水平路径上传输时的到达角起伏的影响.结果表明:随着传输距离的增加,到达角起伏越来越小;随着大气湍流内外尺度和源相干参数的增加,到达角起伏也越来越大;与部分相干光相比,完全相干光的到达角起伏受湍流影响很小;随着波长和湍流强度的减小,到达角起伏越来越小.     

Spin-Dependent Transport and Densities of States in Non-collinear Magnetic Barriers

The spin-dependent transport properties in the non-collinear pattern of series of δ-magnetic barriers are studied by using scattering theory and Green＇s function methods. The Green＇s function is obtained by using distorted wave approach and the scattering matrix is related by Fisher-Lee relationship. In addition to reproducing the results of Papp＇s and Xu＇s in parallel and antiparallel configurations, we also obtain further results, where arbitrary orientations of the magnetic barriers and arbitrary number of barriers are included. The main finding of our results is that the signs of polarizations can be switched around some ＂geometric unpolarized windows＂. The well-known antiparallel configuration has no such characteristics. Furthermore, we discuss spin-related partial densities of states in both polarized and unpolarized structures.     

Ab initio calculations of accurate dissociation energy and analytic potential energy function for the second excited state B1∏ of 7LiH

The reasonable dissociation limit of the second excited singlet state B¹∏ of ⁷LiH molecule is obtained. The accurate dissociation energy and equilibrium geometry of the B¹\Pi state are calculated using a symmetry-adapted-cluster configuration--interaction method in full active space. The whole potential energy curve for the B¹∏ state is obtained over the internuclear distance ranging from about 0.10nm to 0.54nm, and has a least-square fit to the analytic Murrell--Sorbie function form. The vertical excitation energy is calculated from the ground state to the B¹∏ state and compared with previous theoretical results. The equilibrium internuclear distance obtained by geometry optimization is found to be quite different from that obtained by single-point energy scanning under the same calculation condition. Based on the analytic potential energy function, the harmonic frequency value of the B¹∏ state is estimated. A comparison of the theoretical calculations of dissociation energies, equilibrium interatomic distances and the analytic potential energy function with those obtained by previous theoretical results clearly shows that the present work is more comprehensive and in better agreement with experiments than previous theories, thus it is an improvement on previous theories.     

量子数字签名研究进展

量子数字签名是量子理论与经典数字签名的结合,其目的是利用量子效应达到无条件安全的信息交互。介绍了目前提出的几种量子数字签名协议,详细分析了这几种协议的优缺点和效率,提出了量子数字签名协议设计的具体要求,并展望了此领域今后的发展方向。     

The evolution of catalytic function

It is very likely that the main driving force of enzyme evolution is the requirement to improve catalytic and regulatory efficiency which results from the intrinsic performance as well as from the spatial and functional organization of enzymes in living cells.Kinetic co-operativity may occur in simple monomeric proteins if they display “slow” conformational transitions, at the cost of catalytic efficiency. Oligomeric enzymes on the other hand can be both efficient and co-operative. We speculate that the main reason for the emergence of co-operative oligomeric enzymes is the need for catalysts that are both cooperative and efficient. As it is not useful for an enzyme to respond to a change of substrate concentration in a complex kinetic way, the emergence of symmetry has its probable origin in a requirement for “functional simplicity”.In a living cell, enzyme are associated with other macromolecules and membranes. The fine tuning of their activity may also be reached through mutations of the microenvironment. Our hypothesis is that these mutations are related to the vectorial transport of molecules, to achieve the hysteresis loops of enzyme reactions generated by the coupling of reaction and diffusion, through the co-operativity brought about by electric interactions between a charged substrate and a membrane, and last but not least, through oscillations. As the physical origins of these effects are very simple and do not require complex molecular devices, it is very likely that the functional advantage generated by the spatial and functional organization of enzyme molecules within the cell have appeared in prebiotic catalysis or very early during the primeval stages of biological evolution.We shall began this paper by presenting the nature of the probable earliest catalysts in the RNA world.     

A detailed study of Mathieu-Gauss beams propagation through an apertured ABCD optical system

Using Collins formula and the expansion of Mathieu beams in terms of Bessel beams we derive the exact propagation equations of Mathieu-Gauss beams through an apertured paraxial ABCD optical system. A comparison between the exact propagation equations and the approximated ones, which are derived by expanding the circ function into a finite sum of Gaussian functions, is presented. The propagation characteristics of zeroth-order Mathieu-Gauss beams in (y-z) and (x-z) planes are analyzed with detailed numerical calculations. It is found that the profile of the propagated Mathieu-Gauss beam is similar to that of Bessel-Gauss beam. Furthermore, the focalization of the Mathieu-Gauss beams through a thin lens is illustrated and analyzed with numerical results.