气体在纳孔分子材料中吸附的理论模拟研究进展

纳孔分子材料是由孤立分子通过非共价相互作用堆积形成的具有纳微孔道结构的材料.和传统共价网络孔材料相比,纳孔分子材料具有独特的溶解性,并兼具气体存储与分离,限域反应和催化等方面的潜在应用,已成为当前研究的新热点.通过着眼于新型纳孔分子材料的设计,对相关理论研究进行了综合评述,主要包括以下3个方面:(1)无论是气体吸附还是催化反应,纳孔分子材料的晶体结构预测都是先决条件,只有在纳孔分子材料的晶体结构得到准确预测的前提下,才能够定向、准确、系统地对其进行设计;(2)气体在纳孔分子材料中吸附的分子动力学研究有助于深刻理解气体吸附的微观传输扩散机制;(3)气体在纳孔分子材料中吸附的巨正则蒙特卡洛模拟有利于对设计材料的吸附性能进行直接预测,得到可以直接与实验吸附量、吸附热等信息进行比较的结果.最后,简述了理论设计新型纳孔分子材料存在的问题以及未来发展前景.     

一种倍频光电振荡器的实现方法

提出了一种利用电光调制器的非线性效应实现光电振荡器倍频输出的方法,通过在光电振荡环路中引入微波分频器,使得利用低频率的电光调制器有可能产生高频率的微波倍频信号输出,从而降低了振荡频率对调制器工作频率的要求。理论和实验研究表明,在微波信号输入功率较低时,调制器将引入较大的附加噪声,会严重恶化光电振荡器输出的倍频微波信号的相位噪声。通过在振荡反馈环路中增加一个微波放大器,减小附加噪声,能够极大地改善倍频信号的相位噪声。当环路光纤为1km时,产生的9GHz倍频信号相位噪声在10kHz频率偏移时达到-104dBc/Hz,比典型光电振荡环路恶化了6dB,同时,保持了较高的输出功率。实验结果与理论分析基本一致,证明了该倍频输出光电振荡器的可行性。     

<Emphasis Type="Italic">In situ</Emphasis> characterization of optoelectronic nanostructures and nanodevices

One-dimensional (1-D) semiconductor nanostructures can effectively transport electrons and photons, and are considered to be promising building blocks for future optoelectronic nanodevices. In this review, we present our recent efforts to integrate optical techniques and in situ electron microscopy for comprehensively characterizing individual 1-D optoelectronic nanostructures and nanodevices. The technical strategies and their applications in “green” emission and optical confinement in 1-D ZnO nanostructures will be introduced. We also show in situ assembly and characterization of nanostructures for optoelectronic device purposes. Using these examples, we demonstrate that the combination of optical techniques and in situ electron microscopy can be powerful for the studies of optoelectronic nanomaterials and nanodevices.     

梯形截面硅基水平多槽纳米线定向耦合器全矢量分析

定向耦合器是构成各类光子器件的基础元件. 本文采用一种基于电场分量的全矢量有限元法, 分析由梯形截面硅基水平多槽纳米线构成的定向耦合器. 给出了准TE与准TM偶、奇模有效折射率、耦合长度及模场分布, 揭示了其模式的混合特性及模场分布特点. 分析结果表明, 准TE模与准TM模的耦合长度随波导间距的增大均呈指数增长, 其中准TE模的耦合长度对波导侧壁倾角的变化敏感, 而准TM模的耦合长度对槽厚及槽折射率的变化敏感. 恰当选择结构与材料参数, 可实现两偏振态下相同耦合长度, 定向耦合器在偏振无关条件下工作.     

Semiclassical investigation of Coulomb focusing effects in atomic above-threshold ionization with elliptically polarized laser fields

We investigate atomic above-threshold ionization in elliptically polarized strong laser fields with a semiclassical approach.With increasing laser intensity,the Coulomb focusing(CF) effects are found to become stronger in both parallel and perpendicular directions with respect to the polarization plane.The dependence of CF effects on tunnel exit,initial transverse momentum distribution and laser electric field is analyzed.It was revealed that the effects of tunnel exit are most prominent with variation of the laser intensity,and the other two factors both play non-negligible roles.Our results provide a deeper insight to the recent experiments of Coulomb asymmetry[Shafir D,et al.,2013 Phys.Rev.Lett.111 023005 and Li M,et al,2013 Phys.Rev.Lett.111 023006].     

H$lt;sub$gt;2$lt;/sub$gt;$lt;sup$gt;+$lt;/sup$gt;在强激光场中的解离及其量子调控的理论研究

利用非波恩-奥本海默近似的三维含时量子波包法,理论研究了氢分子离子在强激光场中的解离动力学.通过分析H₂⁺在不同的初始振动态（ν=0–9）和激光场强度下的解离核动能谱,得到了H₂⁺的光解离机理及其随激光场的变化规律.研究结果表明：当激光场的强度I₁=5.0×10¹³ W/cm²时,分子的解离来源于高振动态ν=5–9,其解离机理主要是通过键软化、键硬化和阈下解离过程.当激光场的强度I₂=1.0×10¹⁴ W/cm² 时,H₂⁺在低振动态ν=3–4上的阈上解离起主导作用,而高振动态的键软化、键硬化和阈下解离所占的比重明显地下降了.研究结果为后续的量子调控的实验研究提供了科学的理论预测和指导. 关键词： 光解离 氢分子离子 含时波包法 核动能谱     

Method of accurately calculating mean field operator in multi-configuration time-dependent Hartree-Fock frame

The accurate theoretical expressions of the mean field operator associated with the multi-configuration time-dependent Hartree-Fock （MCTDHF） method are presented in this paper. By using a theoretical formula, derived without approxima- tion, we can study the multi-electron correlation dynamics accurately. Some illustrative calculations are carried out to check the accuracy of the expression of the mean field operator. The results of illustrative calculations indicate the reliability of the accurate expression of the mean field operator. This theoretical calculation method for the mean field operator may be of considerable help in future studies of the correlated dynamics of many-electron systems in strong laser fields.     

In situ characterization of optoelectronic nanostructures and nanodevices

One-dimensional (1-D) semiconductor nanostructures can effectively transport electrons and photons, and are considered to be promising building blocks for future optoelectronic nanodevices. In this review, we present our recent efforts to integrate optical techniques and in situ electron microscopy for comprehensively characterizing individual 1-D optoelectronic nanostructures and nanodevices. The technical strategies and their applications in “green” emission and optical confinement in 1-D ZnO nanostructures will be introduced. We also show in situ assembly and characterization of nanostructures for optoelectronic device purposes. Using these examples, we demonstrate that the combination of optical techniques and in situ electron microscopy can be powerful for the studies of optoelectronic nanomaterials and nanodevices.     

关于拉格朗日中值定理与中间值的唯一性

拉格朗日中值定理是: 如果(i)函数f(x)在闭区间[a,b]连续,(ii)f(x)在开区间(a,b)可微,那么在(a,b)内至少存在一点ξ,使得