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     

对称正交反对称矩阵反问题解存在的条件

矩阵反问题和矩阵特征值反问题在科学和工程技术中具有广泛的应用,有关它们的研究已取得了许多进展[1,2].[3]和[4]分别研究了反对称矩阵反问题和双反对称矩阵特征值反问题等.本文研究一类更广泛的对称正交反对称矩阵反问题.用Rn×m（Cn×m）表示n×m实（复）矩阵的全体,ASRn×n表示n阶反对称矩阵的全体,ABSRn×n表示n阶双反对称矩阵的全体,ORn×n表示n阶正交矩阵的全体.A+表示矩阵A的Moore-Penrose广义逆.In表示n阶单位矩阵.ei表示n阶单位矩阵的第i列,Sn=[en,en-1,     

两种以Znq2为基体的新型电致发光材料的合成与性能

以8-羟基喹啉为配体的金属配合物是一种性能优良的有机电致发光材料,其中有关8-羟基喹啉铝(Alq₃)研究已有大量报道,8-羟基喹啉锌(Znq₂)研究还有待发展。介绍了两种以Znq₂为基体的新型有机电致发光材料Znq₂(H₂O)₂和(Znq₂)₄的合成方法。用IR、XRD、TG、DTA和荧光测试方法进行表征与分析表明:Znq₂(H₂O)₂和(Znq₂)₄的玻璃化温度(T_g)分别为104.2℃和204.9℃;在161℃下Znq₂(H₂O)₂脱去水分子成为Znq₂,在361℃高温下四聚体(Znq₂)₄裂解为单体Znq₂;Znq₂(H₂O)₂和(Znq₂)₄具有很好的发光性能,在光致发光谱中λ_max分别是505,550nm。     

Effects of Au coating on thermal stresses in stainless-to-Kovar packages

A finite-element method (FEM) analysis has been carried out on the thermally-induced stresses generated when stainless steel covers are laser-welded to Au-coated Kovar TO headers during the packaging of semiconductor lasers. In particular, the effect of varying the Au coating thickness of these stresses was investigated. Maximum stresses were found to be reduced as the Au thickness increased. This effect is attributed to the reduction in thermal gradient in the weld region provided by the increased thermal conduction of thicker Au. The result suggests that adequate Au coating thickness is important for ensuring good reliability of opto-electronic packages having laser-welded caps. This revised version was published online in June 2006 with corrections to the Cover Date.     

拟阵与概念格的关系

本文以构造的方式建立起拟阵与概念格的联系,得到在同构意义下每个拟阵是一个概念格,但反之不然的结论;该结论使得利用概念格的性质研究拟阵成为现实,特别为将建造概念格的算法尤其是已计算机化的算法应用于求取拟阵奠定了基础,也为拟阵论成为研究概念格性质的辅助工具打下基础．     

Enantioseparation of Dencichine and D-Isomer on L-Cysteine Derivative Phase by Ligand-exchange Chromatography

Dencichine (β-N-oxalyl-L-α, β-diaminopropionic acid, L-ODAP), a nonprotein amino acid, is a haemostatic agent present in important Chinese medicinal herbs such as Panax notoginseng, as well as other Panax species1. It was first isolated from the seeds …     

Ce偶-偶同位素低激发态性质的IBM2描述

通过考虑同类核子相干对间的四极相互作用，在IBM2中对Ce偶－偶同位素^128Ce-^138Ce的低激发态能谱和E2跃迁几率及分支比进行了理论分析，计算结果有效地改善了IBM中这些核的γ带能谱的Staggering现象描述，与实验观察到的低激发态结果基本一致。     

Limit distribution of the number of consecutive records

A succinct series expression is derived for describing the limit distribution of the number of times r consecutive elements are all records (in a sequence of independent and identically distributed random variables with a common continuous distribution) for all r ≥ 2. Previously, only the limit distributions for r = 1, 2, and 3 were known. © 2005 Wiley Periodicals, Inc. Random Struct. Alg., 2005     

Cd-Sn(0.2)-Zn三元合金高压相图的测定

 为了验证三元合金高压相图的计算结果，本文采用高压DTA方法，测定了Cd-Sn-Zn三元系中x_Sn=20 at.%截面的高压垂直截面相图，实验压力为0、0.5、1.0、1.5 GPa。测得的常压相图（p=0 GPa）中其液相线与H. J. Bray的实验结果完全相符，所得高压相图与常压相图比较，在p=1.5 GPa时低共晶点上移了大约35 K，共析组成向富锌端移动了大约8%。