Effect of crystallographic orientations on transport properties of methylthiol-terminated permethyloligosilane molecular junction

The understanding of the influence of electrode characteristics on charge transport is essential in the field of molecular electronics. In this work, we investigate the electronic transport properties of molecular junctions comprising methylthiol-terminated permethyloligosilanes and face-centered crystal Au/Ag electrodes with crystallographic orientations of (111) and (100), based on the ab initio quantum transport simulations. The calculations reveal that the molecular junction conductance is dominated by the electronic coupling between two interfacial metal-S bonding states, which can be tuned by varying the molecular length, metal material of the electrodes, and crystallographic orientation. As the permethyloligosilane backbone elongates, although the σ conjugation increases, the decreasing of coupling induced by the increasing number of central Si atoms reduces the junction conductance. The molecular junction conductance of methylthiol-terminated permethyloligosilanes with Au electrodes is higher than that with Ag electrodes with a crystallographic orientation of (111). However, the conductance trend is reversed when the electrode crystallographic orientation varies from (111) to (100), which can be ascribed to the reversal of interfacial coupling between two metal-S interfacial states. These findings are conducive to elucidating the mechanism of molecular junctions and improving the transport properties of molecular devices by adjusting the electrode characteristics.     

Effect of the number of defect particles on the structure and dispersion relation of a two-dimensional dust lattice system

The effect of the number of defect particles on the structure and dispersion relations of a two-dimensional (2D) dust lattice is studied by molecular dynamics (MD) simulation. The dust lattice structures are characterized by particle distribution, nearest neighbor configuration and pair correlation function. The current autocorrelation function, the dispersion relation and sound speed are used to represent the wave properties. The wave propagation of the dust lattice closely relates to the lattice structure. It shows that the number of defect particles can affect the dust lattice local structure and then affect the dispersion relations of waves propagating in it. The presence of defect particles has a greater effect on the transverse waves than on the longitudinal waves of the dust lattice. The appropriate number of defect particles can weaken the anisotropy property of the lattice.     

2018年9期电子期刊

采用高温固相法在1 150℃下经二次煅烧合成了双钙钛矿型的红色荧光粉Sr₂ZnTeO₆∶xEu³⁺（x=0.05-0.40）,并进行了相组成、发光性质和热稳定性的研究。结果表明,所合成的Sr₂ZnTeO₆与Sr₂ZnWO₆具有相同的结构,掺杂离子的加入没有改变相结构。样品的激发光谱由电荷迁移带和Eu³⁺离子的特征激发峰组成,主激发峰位于464 nm（⁷F₀→⁵L₆）。样品的发射光谱位于614 nm（⁵D₀→⁷F₂）。Sr₂ZnTeO₆∶xEu³⁺荧光粉的发光强度随着Eu³⁺离子的掺杂,先增大后减小,在x≥0.25时,发生浓度猝灭现象。通过变温荧光发现它具有非常好的热稳定性。由于荧光粉的最佳激发位于464 nm,因而可以用于蓝光激发下的白光LED的红色荧光粉。     

Simulation of Femtosecond Pulse Propagation through Hollow Fibre Filled with Noble Gases of Gradient Temperature

We propose a novel technique for generating intense few to mono-cycle femtosecond pulses. The simulation demonstrate that for the temperature difference of 300K, the spectrum of the output pulses is increased by 67% and the transform limited pulse width is reduced almost by half, compared with those obtained with hollow fibres in uniform temperature.     

A periodically poled LiNbO3 in wavelength conversion optical parametric generator from 2 to 3.88 ——4.34 μm

A periodically poled lithium niobate （PPLN） optical parametric generator （OPG） pumped by a laser diode （LD）-pumped Q-switched Tm,Ho：GdVO4 laser operated at 2.048 μm with pump pulse of 25 ns and repetition rate of 10 kHz is reported. A continuous tunable middle-infrared （mid-IR） spectrum of 3.88 - 4.34 μm is obtained by changing the crystal temperature from 50 to 124℃. When the incident pump power is 3 W, the total OPG output power is 95 mW, corresponding to optical conversion efficiency of 3.2%.     

软X射线多层膜色散元件

介绍研制软Ｘ射线多层膜色散元件的初步结果，结合Ｍ０／Ｓ１、Ｓ／Ｓ１色散元件的研制实例，讨论了包括设计、性能模拟计算、镀膜工艺、检测等在内的制备过程，这些元件将在Ｘ射线光学和Ｘ射线光谱学的有关研究工作中得到应用。     

Electron Transport Property of CdTe under High Pressure and Moderate Temperature by In-Situ Resistivity Measurement in Diamond Anvil Cell

In situ resistivity measurement has been performed to investigate the electron transport property of powered CdTe under high pressure and moderate temperature in a designed diamond anvil cell. Several abnormal resistivity changes can be found at room temperature when the pressure increases from ambient to 33 GPa. The abnormal resistivity changes at about 3.8 GPa and 10 GPa are caused by the structural phase transitions to the rock-salt phase and to the Cmcm phase, respectively. The other abnormal resistivity changes at about 6.5 GPa, 15.5 GPa, 22.2 GPa and about 30 GPa never observed before are due to the electronic phase transitions of CdTe. The origin of the abnormal change occurred at about 6.5 GPa is discussed. The temperature dependence of the resistivity of CdTe shows its semiconducting behaviour at least before 11.3 GPa.     

块对偶Toeplitz算子的乘积

本文刻画了向量值Bergman空间上块对偶Toeplitz算子有界性和紧性,给出了块对偶Toeplitz算子的乘积是块对偶Toeplitz算子的充要条件.     

一类含p-Laplacian算子的分数阶时滞微分方程无穷多点边值问题的正解

主要研究一类含有p-Laplacian算子和时滞的分数阶微分方程的无穷多点边值问题.先构造Green函数并分析其性质,再利用p-Laplacian算子的性质和Banach压缩映射原理,得到这类边值问题正解存在唯一的一些新结果.