New insight into hydrogen bond-mediated electron transfer

<正>Electron transfer (ET) is one of the most fundamental processes in nature, biological systems, and optoelectronic devices. The in-depth ET investigations of synthetic materials are of great significance for the understanding of those occurring in natural systems. Mixed-valence (MV) compounds,consisting of two bridged redox motifs that are structurally identical but different in valence, provide an appealing     

Vacancy-assisted diffusion of alkoxy species on rutile TiO2(110)

Using scanning tunneling microscopy (STM) and density functional theory simulations, we have studied the diffusion of alkoxy species formed by the dissociation of alcohols on bridge-bonded oxygen (BBO) vacancies (BBO(V)'s) on TiO2(110). At elevated temperatures (>or=400 K) the sequential isothermal STM images show that mobile BBO(V)'s mediate the diffusion of alkoxy species by providing space for alkyl-group-bearing BBO atom to diffuse into. The experimental findings are further supported by simulations that find that BBO(V) diffusion is the rate limiting step in the overall diffusion mechanism.     

Caustics method in dynamic fracture problem of orthotropic materials

Caustics method is a powerful optical technique in fracture mechanics because of its high sensitivity to stress gradients. In this paper, it is applied to resolve dynamic fracture problems in orthotropic composites. Considering most orthotropic materials are opaque, reflective caustics method is derived here by combining the fundamental principle of caustics method with the mechanical properties of orthotropic materials. Meanwhile, corresponding experiments are carried out for typical glass fiber-reinforced composites, where mode I and mixed-mode fracture states are taken into account. By recording and analyzing shadow spot patterns during the crack propagation process carefully, crack onset time, dynamic fracture toughness and crack growth velocity of orthotropic composite are determined. These results will be useful to evaluate the dynamic fracture properties of composites and further to optimize their designs.     

Second-harmonic generation in the thermal/electrical poling (100−x)GeS2·x(0.5Ga2S3·0.5CdS) chalcogenide glasses

Utilizing Maker fringe (MF) method, second-harmonic generation (SHG) has been observed within the GeS₂-Ga₂S₃-CdS pseudo-ternary glasses through thermal/electrical poling technique. The SHG phenomenon was considered to be the result of breakage of the glassy macroscopic isotropy originated from the reorientations of dipoles during the thermal/electrical poling process. Under the same poling condition conducted with 5 kV and 280 °C for 30 min, the maximum value of second-order nonlinear susceptibility χ⁽²⁾ of the poled (100−x)GeS₂·x(0.5Ga₂S₃·0.5CdS) glasses was obtained to be ≈4.36 pm/V when the value of x is equal to 30. Nonlinear dependence of χ⁽²⁾ on compositions of these glasses can be well explained according to the theory related to the reorientation of dipoles.     

5,10,15-三(五氟苯基)Corrole及其相似卟啉化合物的光物理特性

采用稳态和时间分辨的瞬态光谱技术对比研究了一种Corrole化合物5,10,15-三(五氟苯基)Corrole(FtsTPC)和一种卟啉化合物5,10,15,20-四(五氟苯基)卟啉(F20TPP)的光物理特性.结果表明:F15TPC的B带吸收峰较宽而F20TPP的强而窄,F15TPC的Q带有两个吸收峰而F20TPP有四个.F15TPC的荧光量子产率为0.15,荧光寿命为4.8 ns,F20TPP的荧光量子产率为0.05,荧光寿命为11.1 ns;与F20TPP相比F15TPC具有发光效率高、荧光寿命短的特点.F15TPC具有较大的发光速率常数和无辐射跃迁速率常数,这可能是由于F15TPC少了一个氟代苯基,致使其发色团本身的电子结构发生变化所致.另外空间结构的不对称性和非共面性也对其光物理性质有影响.     

An asymmetric full velocity difference car-following model

This paper presents a car-following model that considers the asymmetric characteristic of the velocity differences of the vehicles in a traffic stream. The problems of the prevalent general force (GF) model and the full velocity difference (FVD) model were solved. Furthermore, the optimal velocity (OV) model, the GF model, and the FVD model are proved to be the special cases of the proposed asymmetric full velocity difference (AFVD) model. The mathematical model is presented, followed by simulation analysis which demonstrates the properties of the AFVD model.     

Optical feedback cavity ring-down technique for accurate measurement of ultra-high reflectivity

A novel cavity ring-down (CRD) technique, based on the optical feedback effect of Fabry–Perot diode lasers, is developed for accurate reflectivity measurement of highly reflective cavity mirrors. The strong optical feedback, including the direct reflection from the front cavity mirror of a linear ring-down cavity, is re-injected into the oscillator cavity of the diode laser, and large resonant peaks are observed in the ring-down cavity output signals. The diode laser is switched off by a threshold circuit when the amplitude of a resonant peak exceeds a pre-defined threshold. Exponentially decayed signals recorded immediately after switching off the laser are used to determine the cavity decay time. The ultra-high reflectivity of cavity mirrors is measured to be 99.99606% with a reproducibility of 0.00003%. Compared with the previous phase-shift CRD technique, the signal-to-noise ratio of the cavity output signals is improved with an enhancement factor of over 100.     

基于耦合振子模型的摩擦力计算研究

以界面摩擦为研究对象,探讨了基于耦合振子模型(coupled-oscillator model)的滑动摩擦微观机理,分析了滑动过程中的能量耗散问题. 采用Maugis-Dugdal接触模型替代界面摩擦中的Lennard-Jones势能,并将该模型融入耦合振子模型之中,通过计算振子在一个周期内的能量增加值,推导出了界面摩擦力的理论计算公式. 理论分析表明,对于探针-试样接触系统,滑动摩擦力近似随着法向载荷的2/3次方增加,这与纳米摩擦学经典理论是相符的.理论计算结果与超高真空原子力显微镜镀铜探针在Cu(111)晶面扫描实验结果符合良好,表明本文提出的理论和方法可行. 关键词： 耦合振子模型 界面摩擦 摩擦力 法向载荷     

一种新型近共沸混合工质的循环性能实验研究

文中开展了对一种新型近共沸混合物的整机性能实验研究,该混合物具有零ODP值和低GWP值,可作为传统工质R502甚至是R404A的长期替代物。根据国标GB/T 5773-2004搭建了第二制冷剂量热器的整机性能测试实验台。试验在蒸发温度为-40℃的商用制冷温区进行,系统研究了在不同蒸发温度、冷凝温度、过冷度、过热度等工况下的性能。实验结果与R404A进行了比较,包括压比、压缩机功耗、制冷量、COP、吸气温度。实验结果表明,该新工质COP比R404A高9.2%至14.2%。     

Half-metallicity modulation of zigzag BC2N nanoribbons by transverse electric fields: A first principles study

We performed density functional theory calculations to investigate the electronic and magnetic properties of H-terminated zigzag BC₂N nanoribbons (ZBC₂NNRs) with the atoms arranged as B-C-N-C along zigzag lines. The ribbons can be classified into three groups according to the profiles of band structures and edge atoms: BN-BN, CC-CC and BN-CC. Among them, CC-CC and BN-CC ZBC₂NNRs behave magnetic ground states. The results show that the CC-CC ZBC₂NNR is an antiferromagnetic (AFM) semiconductor. Under the transverse electric field, the half-metallicity of 16-CC-CC ZBC₂NNR can be achieved with electric field in the range of $0.2～0.45$ VÅ^?1. Interestingly, the intrinsic half-metallicity exists in BN-CC ZBC₂NNRs when the ribbon width is smaller than ～29.2 Å. For larger ribbon width (～33.5 Å), the system could be converted from ferromagnetic metal to half-metals at a very low critical field of $E=0.02$ VÅ^?1. Meanwhile, it is also shown that the I–V characteristic of BN-BN ZBC₂NNRs shows a negative differential resistance (NDR) effect. These ample electronic and magnetic properties might open great opportunities for BC₂N materials in spintronics and nanoscale device in the future.