基于超分子结构共掺杂纳米复合薄膜的制备与荧光特性

为改善功能分了的特性,提出一种基于金属纳米粒子-偶氮染料复合物共掺杂超分子结构功能材料的设计新方法.并依照此方法制备出复合材料,观测了其显微结构,测量了其紫外-可见光吸收,研究了该超分子结构复合体系的荧光特性.实验发现,由于金属银纳米粒子的掺杂,使得超分子结构复合体系中功能分子甲基橙在溶液态体系的荧光强度增强近5倍,而在两种不同结构(共混结构和包覆结构)的薄膜态超分子结构体系中,其荧光强度分别被猝灭15%和20%.研究结果表明,复合膜中采用超分子结构完全能够改善功能分子的特性.     

The periodic wave solutions for the (2 + 1)-dimensional Konopelchenko–Dubrovsky equations

More periodic wave solutions expressed by Jacobi elliptic functions for the (2 + 1)-dimensional Konopelchenko–Dubrovsky equations are obtained by using the extended F-expansion method. In the limit cases, the solitary wave solutions and trigonometric function solutions for the equations are also obtained.     

The properties and structures of the mono- and the di- vacancy in Cu crystal

The structures and energies of formation and migration of the mono- and di-vacancy in Cu crystal have been described and calculated with modified analytical embedded atom method (MAEAM). The lattice relaxation is considered with molecular dynamics (MD) method at T=0 K. The results show the FN di-vacancy is the most stable and likely occurs in practice from the energy minimization. Compared with the mono-vacancy, the formation energy of the FN di-vacancy is higher than that of a mono-vacancy, but lower than that of two isolated mono-vacancy. The preferred migration mechanism of the FN di-vacancy is multi-jump of either vacancy (rotating the di-vacancy). The calculated migration energy of the FN di-vacancy is lower than that of a mono-vacancy, so the FN di-vacancy is easier to migrate. All of the calculated results are in good agreement with the experimental values.     

接枝羧基的有限长碳纳米管电子结构的第一性原理研究

基于局域密度泛函理论，采用第一性原理方法，建立了对(5,5)型和(9,0)型有限长碳纳米管接枝羧基官能团的原子模型，通过计算其电子分布和态密度的变化，讨论羧基官能团对碳纳米管电子结构和电子输运特性的影响. 计算表明，接枝羧基的碳纳米管,其电子结构明显改变，其费米能级上的电子态密度下降；最高占据轨道上的非定域程度减弱,致使电子输运性能呈下降趋势. 关键词： 碳纳米管 密度泛函理论 电子结构     

钐(Ⅱ)类卡宾CH_3SmCH_2X(X=Cl、Br和Ⅰ)促进乙烯环丙烷化反应途径的理论研究(英文)

用密度泛函B3LYP方法研究了过渡金属钐类卡宾与乙烯的环丙烷化反应的机理。对三种不同的钐的SS试剂CH_3SmCH_2X(其中X=Cl、Br和Ⅰ)分别和CH_2CH_2反应的各反应物、中间体、过渡态和产物构型的全部结构几何参数进行了优化,用内禀反应坐标(IRC)计算和频率分析方法,对过渡态进行了验证。结果表明：CH_3SmCH_2X(其中X=Cl、Br和Ⅰ)与CH_2CH_2环丙烷化反应按亚甲基转移通道(通道A)和卡宾金属化通道(通道B)都可以进行,与锂类卡宾的反应机理相同,只是按亚甲基转移通道(通道A)进行反应较容易一些,而且此反应在较低的温度下就可以发生。     

扫描隧道显微镜研究石墨表面的莫尔图

利用扫描隧道显微镜研究石墨表面的大尺度周期性图样．研究结果表明,莫尔图起源于石墨深层的缺陷,实验结果与理论完全吻合,并且第一次在实验上证明了纳米波可以穿透多层石墨而没有明显衰减．     

带有无限到达源的Re-entrant Line的稳定性

用Foster判别准则,Weiss[13]给出了带有无限到达源的两站三步re-entrant line的稳定性的充分条件．本文用两种不同的方法得到了其稳定性的充分必要条件,即: 二维随机游动方法和Foster判别准则．同时,我们又用流体模型方法得到了系统稳定的充分条件,大大地简化了Weiss[13]的证明．     

Transition of 3D to 2D growth modes of InAs grown on GaAs

We report a method to grow thin strain-released InAs layer on GaAs (1 0 0) substrates by molecular beam epitaxy. We have shown that by controlling the growth parameters, a thin 2D InAs layer can be grown during initial stages, which eventually serves as a buffer layer to trap dislocations and epitaxial regrowth of InAs on this buffer results in high crystal quality. The size dependence of the InAs islands formed during initial stages with growth time has been studied by atomic force microscopy. With continuous short-time epitaxial growth during various stages, the InAs growth mode transfers from 3D to 2D. The introduction of dislocations into InAs epitaxial islands and their behavior during initial growth stage has been theoretically studied. The theoretical results are in remarkable agreement with the experimental results and shows that once the film is formed, the film strain is totally relaxed. The 200 nm thick InAs epilayer grown on this buffer shows a narrow X-ray diffraction peak. Such InAs strain-released buffer layer would be useful for regrowth of high In content based materials on top of it for electronics and optoelectronics device applications.     

拟南芥胚的不同区域对MeV离子辐照的响应

利用不同能量的质子在大气环境中辐照拟南芥的含水种子，能量从1.1MeV到6.5MeV.根据模拟计算结果，相应能量的离子对种子的损伤区域分别为胚的浅层、胚的一半和整个胚.本实验中，具有较高能量的质子可以完全均匀地作用于拟南芥生长、发育及遗传密切相关的胚茎端分生组织，而能量较低的质子则不能直接作用于茎端分生组织.实验所用质子注量范围为4×10⁹ions/cm²—1×10¹⁴ions/cm².实验结果显示，虽然拟南芥种子的发芽率和幼苗存活率随离子注量增加都呈现下降的趋势，但对应于不同的胚损伤区域，即在不同的入射质子能量条件下，注量曲线具有各自的特征.实验结果显示，拟南芥种子中除了胚茎端分生组织作为对离子辐照敏感的辐射主靶外，茎端分生组织之外的胚区域可能作为离子辐射次靶，影响到最终的辐射生物学效应. 关键词： 离子辐照 拟南芥 胚区域 生物效应     

氧离子激发光谱的精密测量

在2×1.7串列加速器上利用束-箔方法和装有CCD的Spectrapro-500i光谱单色仪的测量装置，在2MeV束能下研究了250nm—350nm波长范围离化态氧原子光谱.在250nm—350nm范围已确定的201条光谱线，确定的跃迁大部分属于OⅡ到OⅣ原子的n，l能级间的跃迁，一些实验结果与现有理论一致.实验发现，在这个范围的光谱大都属于弱跃迁谱线，并且许多谱线是以前没有观测到的. 关键词： 串列加速器 氧离子 CCD 光谱