Dinuclear gold (I)-di-N-heterocyclic carbene complexes: syntheses,structure, density functional theory calculation and photoluminescence study

The synthesis and characterizations for a series of dinuclear gold (I)-di-NHC complexes, 1–8 through the trans-metalation method of their respective silver (I)-di-NHC complexes, i–viii are reported (where NHC = N-heterocyclic carbene). The successful complexation of a series of unusual non-symmetrical and symmetrical di-NHC ligands, 3,3'-(ethane-1,2-diyl)-1-alkylbenzimidazolium-1'-butylbenzimidazolium (with alkyl = methyl, ethyl, propyl, butyl, pentyl, hexyl, heptyl, benzyl) with the gold (I) ions are suggested by elemental analysis, Fourier transform-infrared, ¹H- and ¹³C-NMR data. The ¹³C-NMR spectra of 1–8 show a singlet sharp peak in the range of 190.00–192.00 ppm, indicating the presence of a carbene carbon that bonded to the gold (I) ion. From single crystal X-ray diffraction data, the structure of complex 6 with the formula of [di-NHC-Au (I)]₂·2PF₆ is obtained [where NHC = 3,3'-(ethane-1,2-diyl)-1-hexylbenzimidazolium-1'-butylbenzimidazolium]. The photophysical study in solid state of 6 displays an intense photoluminescence with a strong emission maxima, λ_em = 480 nm, upon excitation at 340 nm at room temperature. Interestingly, the emission maximum at 77 K shows a structural character with a strong peak at 410 nm, a medium at 433 nm and a weak at 387 nm, accompanied by a tail band to about 500 nm.     

锡苯和铅苯二聚反应的理论研究

采用密度泛函理论B3LYP方法,研究了锡苯和铅苯的[2+2],[4+2]及[4+4]二聚反应的微观机理和势能剖面,考察了Sn(Pb)原子上的2,4,6-三甲基苯基(Mes)取代基对反应势能剖面的影响.研究结果表明,所有反应均为协同过程,且大多数情况下,2个C—Sn(Pb)键同步形成.[2+2]和[4+2]反应在热力学和动力学上均比相应的[4+4]反应容易进行,而[4+2]反应在动力学上比相应的[2+2]反应有利.Sn(Pb)原子上的Mes取代基在热力学和动力学上均不利于反应的进行.铅苯的动力学稳定性与锡苯相当,但其热力学稳定性高于锡苯.     

Estimation of power density in IMPATT using different materials

ABSTRACT

The RF output power dissipated per unit area is calculated using Runge-Kutta method for the high-moderate-moderate-high (n⁺-n-p-p⁺) doping profile of double drift region (DDR)-based impact avalanche transit time (IMPATT) diode by taking different substrate at Ka band. Those substrates are silicon, gallium arsenide, germanium, wurtzite gallium nitride, indium phosphide and 4H-silicon carbide. A comparative study regarding power dissipation ability by the IMPATT using different material is being presented thereby modelling the DDR IMPATT diode in a one-dimensional structure. The IMPATT based on 4H-SiC element has highest power density in the order of 10¹⁰ Wm^?2 and the Si-based counterpart has lowest power density of order 10⁶ Wm^?2 throughout the Ka band. So, 4H-SiC-based IMPATT should be preferable over others for the power density preference based application. This result will be helpful to estimate the power density of the IMPATT for any doping profile and to select the proper element for the optimum design of the IMPATT as far as power density is concerned in the Ka band. Also, we have focused on variation of power density with different junction temperatures and modelled the heat sink with analysis of thermal resistances.     

Designing spirobifullerene core based three-dimensional cross shape acceptor materials with promising photovoltaic properties for high-efficiency organic solar cells

The development of organic electron acceptor materials is one of the key factors for realizing high-performance organic solar cells (OSCs). Nonfullerene electron acceptors, compared to traditional fullerene acceptor materials, have gained much impetus owing to their better optoelectronic tunabilities and lower cost, as well as higher stability. Therefore, 5 three-dimensional (3D) cross-shaped acceptor materials having a spirobifullerene core flanked with 2,1,3-benzothiadiazole are designed from a recently synthesized highly efficient acceptor molecule SF(BR) ₄ and are investigated in detail with regard to their use as acceptor molecules in OSCs. The density functional theory (DFT) and time-dependent DFT (TDDFT) calculations have been performed for the estimation of frontier molecular orbital (FMO) analysis, density of states analysis, reorganization energies of electron and hole, dipole moment, open-circuit voltage, photo-physical characteristics, and transition density matrix analysis. In addition, the structure-property relationship is studied, and the influence of end-capped acceptor modifications on photovoltaic, photo-physical, and electronic properties of newly selected molecules ( H1-H5 ) is calculated and compared with reference ( R ) acceptor molecule SF(BR) ₄ . The structural tailoring at terminals was found to effectively tune the FMO band gap, energy levels, absorption spectra, open-circuit voltage, reorganization energy, and binding energy value in selected molecules H1 to H5 . The 3D cross-shaped molecules H1 to H5 suppress the intermolecular aggregation in PTB7-Th blend, which leads to high efficiency of acceptor material H1 to H5 in OSCs. Consequently, better optoelectronic properties are achieved from designed molecules H1 to H5 . It is proposed that the conceptualized molecules are superior than highly efficient spirobifullerene core-based SF(BR) ₄ acceptor molecules and, thus, are recommended to experiments for future developments of highly efficient solar cells.     

Zk线性码的对称形式的MacWilliams恒等式

该文定义了Zk线性码的码字的对称重量计数公式，利用离散的Hadamard变换，建立了线性码与其对偶码之间的对称形式的MacWilliams恒等式．     

基于ASP.NET技术的新闻发布系统的设计与实现

完整描述了一种在部队师旅级单位通用的新闻发布系统。首先根据用户的特点,对系统进行了需求分析与功能模块划分,然后在此基础上从系统架构、系统流程和数据库设计等3个方面阐述了系统设计中的关键点,并以设计用户登录界面为例写出了部分功能的实现程序,最后对其在中小型企业建站中的应用进行了展望。     

低阻VDMOSFET的优化设计与制造

文章对9926型双N沟增强型VDMOSFET进行了结构和版图的优化设计。给出了该器件的纵横向结构参数,材料的物理参数和版图总体结构。单胞结构的优化设计使单胞密度达到204万个/cm2,比国际市场现有产品的单胞密度(156万个/cm2)提高了30%。这种设计采用浅n+注入工艺可使器件生产成本下降31%。最后对研制结果进行了分析讨论。     

彩色AC-PDP运动图像仿真系统的开发

开发了彩色AC-PDP运动图像仿真系统,通过利用本系统的运动图像仿真功能可以对现有的各种显示技术、与子场有关的各种因素进行仿真及比较,为人们开发提高彩色AC-PDP图像显示质量的新型技术及子场提供了理论上的依据;通过利用本系统的Gamma特性研究功能可以对彩色AC-PDP中视频信号的反Gamma特性进行研究,并对反Gamma相关编码进行子场逼近,为选择符合要求的子场编码提供了判据.     

Wireless video streaming with TCP and simultaneous MAC packet transmission (SMPT)

Video streaming is expected to account for a large portion of the traffic in future networks, including wireless networks. It is widely accepted that the user datagram protocol (UDP) is the preferred transport protocol for video streaming and that the transmission control protocol (TCP) is unsuitable for streaming. The widespread use of UDP, however, has a number of drawbacks, such as unfairness and possible congestion collapse, which are avoided by TCP. In this paper we investigate the use of TCP as the transport layer protocol for streaming video in a multi‐code CDMA cellular wireless system. Our approach is to stabilize the TCP throughput over the wireless links by employing a recently developed simultaneous MAC packet transmission (SMPT) approach at the link layer. We study the capacity, i.e. the number of customers per cell, and the quality of service for streaming video in the uplink direction. Our extensive simulations indicate that streaming over TCP in conjunction with SMPT gives good performance for video encoded in a closed loop, i.e. with rate control. We have also found that TCP is unsuitable (even in conjunction with SMPT) for streaming the more variable open‐loop encoded video. Copyright © 2004 John Wiley & Sons, Ltd.     

An Improved Immune Genetic Algorithm for Solving the Optimization Problems of Computer Communication Networks

1　IntroductionIndesigningacomputercommunicationnet work ,thenetworkaveragedelayisanimportantpa rameterinthenetworkperformance .Inthispaper,weonlyconsiderM /M/1networks,whichmeansthatthemessageprocessingtimeisaprobabilisticdensityfunctionwithnegativepower,thegroupar rivalandsendingisofPoissiondistributionwithasinglequeue .Supposethatthenetworktopologicalstructureandtheestimatesoftheexternaltrafficrequirementsaregiven ,howtoselecttheoptimalroutestobeusedbythecommunicatingnodesinthenetworksoast…