合成α,β-不饱和炔酰胺的新途径

α,β-不饱和炔酰胺是有用的合成中间体,它们通常是由其相应的羧酸衍生物与胺反应制得。我们在应用Weyerstahl的方法从乙酰乙酸乙酯(1)制备丁炔一2一酸(5)时,发现以胺作为亲核试剂代替     

H2S、HCN、PH3在FeO（100）表面吸附的密度泛函理论研究

基于密度泛函理论研究了H2S、HCN、PH3 在FeO(100)表面的吸附行为,其吸附位点主要考虑四个：Fe-top(铁顶位)、O-top(氧顶位)、Hollow(空位)、Bridge(桥位)。结果表明H2S吸附在O-top吸附位点的吸附能最小,为-1.02ev,即在该位点的吸附体系最稳定。当HCN吸附在FeO(100)表面时,各吸附位点的稳定顺序为Hollow>Fe-top>Bridge>O-top。PH3 的最稳定的吸附位点与H2S的一致,为O-top吸附位点,其吸附能为-1.11ev。当H2S吸附在O-top吸附位点时,H2S与FeO（100）表面的电荷转移量最多,说明该吸附构型最稳定,而HCN吸附在FeO(100)表面,在Hollow吸附位点的电荷转移量最多,也即该吸附位点属于最稳定吸附位点。PH3与FeO（100）表面之间的电荷转移量最多的吸附位点与H2S的相同。当H2S和PH3吸附在O-top吸附位点时,吸附后的态密度曲线整体向低能级移动,峰值降低,其吸附结构变得更加稳定。而HCN吸附在Hollow位点时,吸附后的HCN态密度曲线向能量更低的区域移动,吸附体系变得更稳定。     

苯乙烯/马来酸酐共聚物修饰碳纳米管的研究

利用羟基碳纳米管上的羟基与马来酸酐之间的简单反应, 在碳纳米管上引入双键, 进一步引发苯乙烯聚合, 在碳纳米管表面接枝苯乙烯马来酸酐共聚物, 同时采用羟基碳纳米管与苯乙烯马来酸酐共聚物直接反应也在碳纳米管的表面引入了苯乙烯马来酸酐共聚物. 经IR, Raman, TG和TEM测定, 证明了碳纳米管与苯乙烯马来酸酐共聚物之间为化学键连接关系.     

非简并Λ型三能级原子的速度选择相干布居俘获

研究了非简并Λ型三能级原子速度选择相干布居俘获与原子能级结构的非对称性以及原子-激光失谐之间的关系.指出相对于简并、共振情况，原子动量分布的概率峰峰值降低、最可几动量发生变化，而且原子的俘获时间也变得很长.     

使用AlN/GaN超晶格势垒层生长高Al组分AlGaN/GaN HEMT结构

在蓝宝石衬底上生长了以AlN/GaN超晶格准AlGaN合金作为势垒的HEMT结构材料,并与传统AlGaN合金势垒样品进行了对比.在高Al组分(≥40%)情况下,超晶格势垒样品的表面形貌明显改进,电学性能特别是2DEG面电子浓度也有所改进.对超晶格势垒生长参数进行了初步优化,使得HEMT结构薄层电阻进一步降低,最后获得了251 Ω/□的薄层电阻. 关键词： AlGaN/GaN 结构 AlN/GaN超晶格 二维电子气 高电子迁移率晶体管     

MEASUREMENT OF LOW MAGNETIC FIELD DISTRIBUTION OF A β SPECTROMETER

The low magnetic field distribution of an iron-core double-focusing low-energy β spectrometer is measured with a second harmonic magnetic flux gate magnetometer, the relative measuring precision is better than ±0.05%. The field strength of the spectrometer is about 10G. This spectrometer is used to measure the β spectrum from tritium β decay for estimating the rest mass of electron antineutrion.     

Raman光谱研究厚度对La0.9Sr0.1MnO3/Si薄膜结构的影响

通过溶胶-凝胶旋涂方法结合后退火工艺在Si（100）上制备了不同厚度的La_0.9Sr_0.1MnO₃（LSMO）薄膜,利用X射线衍射（XRD）和共焦显微拉曼散射（Raman）研究了LSMO/Si（100）薄膜的微结构．研究结果表明90 nm厚的LSMO薄膜具有正交相结构,当厚度大于150 nm时,薄膜具有菱方相结构. 150 nm厚的薄膜的Raman图谱中,490 cm^-1和602 cm^-1正交结构 关键词： 薄膜 1-xSr_xMnO₃')" href="#">La_1-xSr_xMnO₃ 共焦显微拉曼 微结构     

Molecular Dynamics Simulation of Icosahedral Transformations in Solid Cu-Co Clusters

We study the icosahedral transformations of solid Cu Co clusters with different initial configurations by using molecular dynamics with the embedded atom method. It is found that the formation of symmetric icosahedral cluster is strongly related to the atomic number and initial configuration. The transformation originates from the surface into the interior of the cluster and is a structural change which is rapid and diffusionless. The icosahedral clusters with any composition and configuration, such as core-shell or three-shell duster, can be prepared by the means of solid-solid phase transition in bimetallic clusters.     

Restarted Full Orthogonalization Method with Deflation for Shifted Linear Systems

In this paper, we study shifted restated full orthogonalization method with deflation for simultaneously solving a number of shifted systems of linear equations. Theoretical analysis shows that with the deflation technique, the new residual of shifted restarted FOM is still collinear with each other. Hence, the new approach can solve the shifted systems simultaneously based on the same Krylov subspace. Numerical experiments show that the deflation technique can significantly improve the convergence performance of shifted restarted FOM.     

中小私营企业信用行为演化研究

运用演化经济学理论,通过建立中小私营企业信用行为演化博弈模型,研究中小私营企业信用行为演化规律,并用计算机仿真技术展示信用行为的演化方向。研究发现:如果中小私营企业追求短期利益、缺乏第三方公正的惩罚及失信后资产损失小,会造成中小私营企业信用行为演化成不良“锁定”状态。