Si2O2 molecule: structure of ground state and the excited properties under different external electric fields

Geometry and vibrational frequencies of the ground state of Si 2 O 2 molecule are studied using density function theory (DFT) at the level of cc-pvtz and 6-311++G.It is found that the optimizing value by B3lyp/cc-pvtz is closer to the experimental data.The excited properties under different external electric fields are also investigated by the time-dependent-DFT method.Transitions from the ground state of Si 2 O 2 molecule to the first singlet state under different external electric fields can take place more easily.The corresponding absorption spectral line is about 360 nm in wavelength and the excitation energy is about 3.4 eV.     

载铈纳米TiO2粉体的制备及其反射光谱特性研究

采用金属离子组装技术对纳米TiO2进行了稀土元素铈的负载,借助X射线衍射和透射电子显微镜对载铈纳米TiO2粉体进行了表征,并用紫外-可见光漫反射光谱法对载铈前后纳米TiO2粉体的反射光谱特性进行了分析。结果发现：稀土元素铈负载后,纳米TiO2的反射光谱特性向可见光方向移动,红移到了500nm;并且在可见光区域的吸光率也发生了明显变化,提高了3倍。表明稀土元素铈的负载有利于提高纳米锐钛矿型TiO2对可见光和紫外光的吸收,从而大幅度提高其光催化活性。     

聚α烯烃光催化降解的机理研究

采用光催化微反应器对铜箔表面附着的聚α烯烃进行了光催化降解处理,利用X射线光电子能谱(XPS)、电子自旋共振谱(ESR)和傅里叶变换红外光谱(FTIR)等对光催化降解前后聚α烯烃的元素化学状态、自由基和官能团进行了检测,并探讨了光催化降解机理.结果表明,聚α烯烃光催化降解过程中发生了含氧基团的引入和CO_2脱附;参加降解反应的自由基主要为羟基自由基·OH,降解过程中—OH逐渐增多、C—H键逐渐减少;聚α烯烃光催化降解过程中,·OH进攻聚α烯烃是从取代反应开始的,首先取代的是末端的氢原子,然后是末端羟基向醛基和羧基的转变,最后是碳链断裂形成小分子有机物,这一过程持续进行,最终生成CO_2和H_2O等无机物.     

Compressive imaging based on multi-scale modulation and reconstruction in spatial frequency domain

Imaging quality is a critical component of compressive imaging in real applications. In this study, we propose a compressive imaging method based on multi-scale modulation and reconstruction in the spatial frequency domain. Theoretical analysis and simulation show the relation between the measurement matrix resolution and compressive sensing(CS)imaging quality. The matrix design is improved to provide multi-scale modulations, followed by individual reconstruction of images of different spatial frequencies. Compared with traditional single-scale CS imaging, the multi-scale method provides high quality imaging in both high and low frequencies, and effectively decreases the overall reconstruction error.Experimental results confirm the feasibility of this technique, especially at low sampling rate. The method may thus be helpful in promoting the implementation of compressive imaging in real applications.     

Theoretical Study of Elastic Properties of Tungsten Disilicide1

The plane-wave pseudopotential method using the generalized gradient approximation within the framework of density functional theory is applied to analyse the lattice parameters, elastic constants, bulk moduli, shear moduli and Young＇s moduli of WSi2. The quasi-harmonic Debye model, using a set of total energy versus cell volume obtained with the plane-wave pseudopotential method, is applied to the study of the elastic properties and vibrational effects. The athermal elastic constants of WSi2 are calculated as a function of pressure up to 35 GPa. The relationship between bulk modulus and temperature up to 1200 K is also obtained. Moreover, the Debye temperature is determined from the non-equilibrium Gibbs function. The calculated results are in good agreement with the experimental data.     

基于行扫描测量的运动目标压缩成像

运动目标成像在实际应用中具有重要作用,而如何获取高质量运动目标图像是该领域研究中的一个热点问题.本文采用行扫描采样的方式,通过构造运动测量矩阵,建立一种基于压缩感知理论的运动物体成像模型,并通过仿真及实验,验证了该模型对于恢复运动物体图像信息的可行性.实验结果证明,该方法可获得高质量的运动物体成像.通过引入图像质量评价标准,分析了运动物体成像质量与速度之间的关系.将该方法与普通压缩感知算法进行比较,结果证明,在相同速度下,该方法的成像质量更高.该方法在无人机对地观测、产品线视频监测等领域有着很好的应用前景.