Resonant energy transfer from nanocrystal Si to β-FeSi2 in hybrid Si/β-FeSi2 film

The photoluminescence （PL） characteristics of hybrid β-FeSi2/Si and pure β-FeSi2 films fabricated by pulsed laser deposition at 20 K are investigated. The intensity of the 1.54-μm PL from the former is enhanced, but the enhancement vanishes when the excitation wavelength is larger than the widened band gap of Si nanocrystal. Time-resolved PL decay measurements reveal that the lifetime of the photo-excited carriers in the hybrid β-FeSi2/Si film is longer than that in the pure β-FeSi2 film, providing evidence that the PL enhancement results from the resonant charge transfer from nanocrystalline Si to β-FeSi2.     

Numerical analysis of the resonance mechanism of the lumped parameter system model for acoustic mine detection

The method of numerical analysis is employed to study the resonance mechanism of the lumped parameter system model for acoustic mine detection. Based on the basic principle of the acoustic resonance technique for mine detection and the characteristics of low-frequency acoustics, the “soil-mine” system could be equivalent to a damping “mass-spring” resonance model with a lumped parameter analysis method. The dynamic simulation software, Adams, is adopted to analyze the lumped parameter system model numerically. The simulated resonance frequency and anti-resonance frequency are 151 Hz and 512 Hz respectively, basically in agreement with the published resonance frequency of 155 Hz and anti-resonance frequency of 513 Hz, which were measured in the experiment. Therefore, the technique of numerical simulation is validated to have the potential for analyzing the acoustic mine detection model quantitatively. The influences of the soil and mine parameters on the resonance characteristics of the soil–mine system could be investigated by changing the parameter setup in a flexible manner.     

A self-adaptive stochastic resonance system design and study in chaotic interference

The us of stochastic resonance （SR） can effectively achieve the detection of weak signal in white noise and colored noise. However, SR in chaotic interference is seldom involved. In view of the requirements for the detection of weak signal in the actual project and the relationship between the signal, chaotic interference, and nonlinear system in the bistable system, a self-adaptive SR system based on genetic algorithm is designed in this paper. It regards the output signal-to-noise ratio （SNR） as a fitness function and the system parameters are jointly encoded to gain optimal bistable system parameters, then the input signal is processed in the SR system with the optimal system parameters. Experimental results show that the system can keep the best state of SR under the condition of low input SNR, which ensures the effective detection and process of weak signal in low input SNR.     

Multipacting analysis in micro-pulse electron gun

Modeling multipacting to steady state saturation is of interest in determining the performance of the micro-pulse electron gun. In this paper, a novel method is proposed to calculate the multipacting resonance param- eters for the gun. This method works well, and the 2-D simulation results suggest that steady state saturation can be achieved in the gun. After saturation the transition from two-surface multipacting to single-surface multipacting occurred, and an extensive range of electron emission time is a suggested way to avoid this kind of transition.     

Positronium Decay in a Circular Polarized Laser Field

We calculate the lifetime of both the o-Ps and the p-Ps positronium annihilation decay Ps →γγ in the strong circular polarized laser field. We take a strategy of the faztorization to separate the effects caused by the Coulomb interaction and the strong laser 6eld interaction. It is factorized in the time direction but not in the space direction. Our results show that in the laser with long wavelength and high intensity, the lifetimes of those Ps states are dramatically increased. For C02 laser with 10 μm wavelength and 1013 W/cm2 intensity, lifetime of the spin-single positronium is increased by 108 times. Our result is consistent with those obtained by solving the SchSdinger equation. This effect may be useful for the high harmonic generation （HHG） effects provided with the Ps [Phys. Rev. Lett. 70 （1993） 774; Phys. Rev. Lett. 93 （2004） 013601].     

矩阵不等式约束下矩阵方程AX=B的双对称解

本文讨论矩阵不等式CXD≥E 约束下矩阵方程AX=B的双对称解,即给定矩阵A,B,C,D和 E, 求双对称矩阵X, 使得AX=B 和 CXD≥E, 其中CXD≥E表示矩阵CXD-E非负.本文将问题转化为矩阵不等式最小非负偏差问题,利用极分解理论给出了求其解的迭代方法,并结合相关矩阵理论说明算法的收敛性.最后给出数值算例验证算法的有效性.     

可快速计算水团簇三体作用强度的新方法

将水分子视为由2个O—H键偶极构成, 再将水分子间的三体作用视为长程诱导作用和短程校正之和, 使用Thole模型计算长程诱导作用, 通过同时考虑不同水分子间的置换和同一个水分子中2个键偶极间的置换计算短程校正, 从而提出了一个可快速计算水团簇三体作用强度的新方法. 根据已报道的12347个水三聚体的结构和CCSD(T)三体作用能, 确定了该方法所需参数. 将该方法和所确定的参数应用于67个水团簇体系, 计算这些体系的三体作用能, 并与CCSD(T), MP2, M06-2X方法的计算结果进行比较. 结果表明, 相对于CCSD(T)方法的总三体作用能, 本文方法的均方根偏差(RMSD)仅为3.32 kJ/mol, 平均相对偏差(MRD)仅为2.43%; 对较大水团簇体系, 该方法计算精度稍优于MP2方法, 明显优于M06-2X方法, 并且更快捷高效.     

BiOI上Bi单质和缺陷的协同作用:增强的光催化NO去除和转化途径

Bi OI具有独特的层状结构及较窄的带隙,是具有可见光响应的光催化剂.然而,高光生载流子复合率抑制了其光催化活性.大量研究表明,氧缺陷不但是催化剂表面最具活性的位点,而且可以通过减小禁带宽度扩大光响应范围.与此同时,氧缺陷也可以作为光致电荷陷阱,抑制电子-空穴复合,并作为电荷转移到吸附物种的吸附位点.金属的表面等离子体共振(SPR)效应为半导体材料更高效的光吸收和利用提供了一条崭新的途径,从而可以获得更好的太阳光转换和光催化效率.然而, SPR效应和由氧缺陷引起的多个中间能级协同作用还未被探究.本文研究了利用金属铋的SPR效应和引入缺陷共同提高BiOI的光催化性能.通过部分还原BiOI制备出具有较高可见光催化去除氮氧化物活性的Bi@缺陷型BiOI,研究了还原剂用量对Bi@缺陷型Bi OI光催化性能的影响.发现用2 mmol还原剂Na BH4制备的光催化剂(Bi/BiOI-2)具有最高效的可见光催化活性.XRD、XPS、SEM和TEM表征表明Bi单质沉积在Bi OI表面,整个体系由纳米片自组装为海绵状立体结构.BET比表面积增大,结合SEM推测是由纳米片的分层堆叠造成的.UV-DRS表明带隙宽度仅有1.8 eV的Bi OI具有可见光响应.EPR和态密度(DOS)结合可以证明氧缺陷及其激发多个中间能级的存在.中间能级可以促进电子在可见光下从价带到导带的转移.PL表明体系中Bi金属的SPR效应所激发的电磁场可以促进光生载流子的分离.通过DFT理论计算催化剂的电子结构,差分、电子局域函数(ELF)及电势表明Bi单质和Bi-O层间强的共价作用形成一个通道,使得热电子从较高电势的Bi单质向相对低电势的Bi OI传递, Bi单质PDOS的计算证明价带变宽归因于Bi元素轨道的贡献, Bi的SPR效应激发Bi OI的电子到更高能级并聚集在价带顶,这有利于光生载流子的分离.ESR表明提升的电荷分离和迁移率促进了羟基和超氧自由基的产生.结合表征及理论计算结果,活性的增强可归因于金属Bi和氧空位的协同效应.氧缺陷激发的中间能级促进了电荷转移, Bi金属的SPR效应使可见光吸收效率提高并且促进了光生载流子分离,这些是增强光催化性能的关键因素.此外,采用原位红外光谱法(FT-IR)对Bi/BiOI-2的NO吸附和反应过程进行了动态监测.根据中间产物分析和DFT计算结果,提出了金属Bi和氧空位协同作用提高Bi/BiOI光催化性能的机理.本研究为高性能光催化剂的设计和理解空气净化光催化反应机理提供了新的思路.     

4-单取代-1H-1,2,3-三氮唑的合成研究

以甲氧基聚乙二醇(mPEG)为起始原料通过磺酰化、叠氮化反应合成叠氮基甲氧基聚乙二醇(mPEG-N_3,2);在铜催化下和芳香炔、脂肪炔发生1,3-偶极环加成反应合成甲氧基聚乙二醇-1,2,3-三氮唑(mPEG-1,2,3-triazoles,3);再于酸性条件下脱除甲氧基聚乙二醇(mPEG)制备4-单取代-1H-1,2,3-三氮唑(4),其结构经过MS及~1H NMR、~(13)C NMR确证。