二苯磷酰基取代四苯基硅的合成及在构筑宽禁带聚合物中的应用

设计并合成了二苯磷酰基取代的四苯基硅基团,并将其作为宽禁带聚合物母体材料构筑基元,通过Suzuki反应偶连3,6位取代的咔唑合成了聚合物SiCzP.对聚合物的结构进行了系统的表征.与模型聚合物SiCz相比,二苯磷酰基的强吸电子能力,降低聚合物母体材料的LUMO能级,更有利于电子的注入.SiCzP与SiCz的玻璃化转变温度分别为219与227℃,失重5%时的分解温度分别为441与426℃.二者均具有良好的成膜性,掺杂器件初步结果表明,二苯磷酰基的引入使器件的亮度和效率都得到提高,其最大流明效率和功率效率比SiCz分别提高了98%和75%.     

电化学聚合-彩色图案化发光薄膜与器件制备的新方法

阐述了高发光效率的电化学聚合薄膜的制备及性质,以及电化学聚合制备彩色图案化发光薄膜及器件的方法,同时也涉及电化学聚合薄膜在修饰电极中的应用,最后探讨了目前高发光效率的电化学聚合薄膜在器件应用方面存在的问题和发展前景.     

Numerical aerodynamic analysis of bluff bodies at a high Reynolds number with three-dimensional CFD modeling

This paper focuses on numerical simulations of bluff body aerodynamics with three-dimensional CFD(computational fluid dynamics) modeling,where a computational scheme for fluid-structure interactions is implemented.The choice of an appropriate turbulence model for the computational modeling of bluff body aerodynamics using both two-dimensional and three-dimensional CFD numerical simulations is also considered.An efficient mesh control method which employs the mesh deformation technique is proposed to achieve better simulation results.Several long-span deck sections are chosen as examples which were stationary and pitching at a high Reynolds number.With the proposed CFD method and turbulence models,the force coefficients and flutter derivatives thus obtained are compared with the experimental measurement results and computed values completely from commercial software.Finally,a discussion on the effects of oscillation amplitude on the flutter instability of a bluff body is carried out with extended numerical simulations.These numerical analysis results demonstrate that the proposed three-dimensional CFD method,with proper turbulence modeling,has good accuracy and significant benefits for aerodynamic analysis and computational FSI studies of bluff bodies.     

Theoretical study of substituent effect on the charge mobility of 2,5-bis(trialkylsilylethynyl)-1,1,3,4-tetraphenylsiloles

The theoretical calculation of the charge mobility of 2,5-bis(trialkylsilylethynyl)-1,1,3,4-tetraphenylsiloles is presented. B3LYP/6-31* calculations demonstrated that these silole molecules possessed large coupling matrix elements and reorganization energies for electron and hole transfers and high electron mobilities. The bulkiness of the trialkyl substituents influenced the charge mobility of the silole molecules, with the smaller trimethyl group imparting higher charge mobility than triethyl and triisopropyl substituents.     

Multiparty simultaneous quantum identity authentication with secret sharing

Two multiparty simultaneous quantum identity authentication (MSQIA) protocols based on secret sharing are presented. All the users can be authenticated by a trusted third party (TTP) simultaneously. In the first protocol, the TTP shares a random key K with all the users using quantum secret sharing. The ith share acts as the authentication key of the ith user. When it is necessary to perform MSQIA, the TTP generates a random number R secretly and sends a sequence of single photons encoded with K and R to all the users. According to his share, each user performs the corresponding unitary operations on the single photon sequence sequentially. At last, the TTP can judge whether the impersonator exists. The second protocol is a modified version with a circular structure. The two protocols can be efficiently used for MSQIA in a network. They are feasible with current technology. Supported by the National Basic Research Program of China (973 Program) (Grant No. 2007CB311100), the National High Technology Research and Development Program of China (Grant Nos. 2006AA01Z419 and 20060101Z4015), the Major Research Plan of the National Natural Science Foundation of China (Grant No. 90604023), the Scientific Research Common Program of Beijing Municipal Commission of Education (Grant No. KM200810005004), the Scientific Research Foundation for the Youth of Beijing University of Technology (Grant No. 97007016200701), the National Research Foundation for the Doctoral Program of Higher Education of China (Grant No. 20040013007), the National Laboratory for Modern Communications Science Foundation of China (Grant No. 9140C1101010601), and the Doctor Scientific Research Activation Foundation of Beijing University of Technology (Grant No. 52007016200702)     

Static flow on complete noncompact manifolds I: short-time existence and asymptotic expansions at conformal infinity

We study short-time existence of static flow on complete noncompact asymptotically static manifolds from the point of view that the stationary points of the evolution equations can be interpreted as static solutions of the Einstein vacuum equations with negative cosmological constant.For a static vacuum(Mn,g,V),we also compute the asymptotic expansions of g and V at conformal infinity.     

Robust QKD-based private database queries based on alternative sequences of single-qubit measurements

Quantum channel noise may cause the user to obtain a wrong answer and thus misunderstand the database holder for existing QKD-based quantum private query (QPQ) protocols. In addition, an outside attacker may conceal his attack by exploiting the channel noise. We propose a new, robust QPQ protocol based on four-qubit decoherence-free (DF) states. In contrast to existing QPQ protocols against channel noise, only an alternative fixed sequence of single-qubit measurements is needed by the user (Alice) to measure the received DF states. This property makes it easy to implement the proposed protocol by exploiting current technologies. Moreover, to retain the advantage of flexible database queries, we reconstruct Alice’s measurement operators so that Alice needs only conditioned sequences of single-qubit measurements.     

Progress on the optoelectronic functional organic crystals

Organic crystals constructed by pi-conjugated molecules have been paid great attention to in the field of organic optoelectronic materials. The superiorities of these organic crystal materials, such as high thermal stability, highly ordered structure, and high carrier mobility over the amorphous thin film ma-terials, make them attractive candidates for optoelectronic devices. Single crystal with definite struc-ture provides a model to investigate the basic interactions between the molecules (supramolecular interaction), and the relationship between molecular stacking modes and optoelectronic performance (luminescence and carrier mobility). Through modulating molecular arrangement in organic crystal, the luminescence efficiency of organic crystal has exceeded 80% and carrier mobility has been up to the level of 10 cm2·V?1·s?1. Amplified stimulated emission phenomena have been observed in many crys-tals. In this paper, we will emphatically introduce the progress in optoelectronic functional organic crystals and some correlative principle.     

Reactions of a 16-electron Cp*Co half-sandwich complex containing a chelating 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand with alkynones HC≡C-C(O)R (R = OMe, Me, Ph)

The reaction of the 16e half-sandwich complex Cp*Co(S₂C₂B₁₀H₁₀) (1) (Cp* = pentamethylcyclopentadienyl) with excess methyl acetylene monocarboxylate, HC≡C-CO₂Me, affords the 18e complexes 2–6. Compound 2 bears a B-CH₂ unit in which B-substitution occurs in the B(3)/B(6) position of the ortho-carborane cage. Complexes 3–6 are geometrical isomers, in which the alkyne is twofold inserted into one of the Co-S bonds in all the four possible ways. Treatment of 1 with excess 3-butyn-2-one or phenyl ethynyl ketone, HC≡C-C(O)R (R = Me, Ph), at ambient temperature leads to the 18e complexes 7–10, respectively, with two alkynes inserted into one of the Co-S bonds. All the new complexes were fully characterized by spectroscopic techniques and elemental analysis. The solid-state structures of 2, 3, 5, 7, 8, 9 and 10 were further characterized by X-ray structural analysis.     

新一代有机电致发光材料突破激子统计

激子（或自旋）统计是基本的物理原理,决定有机半导体器件中形成单线态与三线态激子的比例（1：3）．近年来,基于新原理（三线态反系间窜越、延迟荧光）的OLED材料引起广泛关注．该类材料在理论方面重新催热了关于自旋统计的探讨,在应用方面有望发展成为低成本、高性能的新一代OLED材料,在国内相关领域得到重视,多个研究机构已布局开展相关研究．从目前的发展情况看,该类材料的发光机制、原理以及进一步材料设计思路还有待探讨和明确．鉴于此,本文综述了激子统计研究进展,分析了多种提高激子利用效率的途径,提出本课题组提高激子利用率的“热激子过程”新思路及杂化局域．电荷转移（HLCT）态材料设计原理,器件实现接近100％的激子利用效率．