BmN (m=2～9)团簇结构的特征与稳定性

用密度泛函理论(DFT)的B3LYP方法，在6-311G*水平上对BmN(m =2～9)团簇的几何构型、电子结构、振动频率、自然键轨道(NBO)等性质进行了理论研究. 通过对基态结构的异构化能、核独立化学位移(NICS)和能量二次差分的讨论，得到了BmN(m =2～9)团簇结构的稳定性信息.     

α-羰基烯酮环二硫代缩醛化学(XXXVI)──β,β-1,3-亚丙二流基-α,β-不饱和芳酮与Grignard试剂加成物的硅胶催化分解反应

以β，β-1，3-亚丙二硫基-α，β-不饱和芳酮2与烯丙基或等基Grfenard试剂可选择性地进行1，2-加成得醇3、4，在硅胶G的催化下，醇3、4可分解生成β，γ-不饱和芳酮5、6．并对该分解反应的机制进行了初步探讨．     

La0.8Sr0.2-xCaxCo0.9Fe0.1O3-δ的合成与电性能

利用X射线衍射 (XRD)、差热 热重 (DSC/TG)与直流四探针测试分析方法研究了少量Ca取代LaCoO3 中部分La的合成过程及对其电导率的作用。采用固相反应合成的La0 .8Sr0 .2 -xCaxCo0 .9Fe0 .1 O3 -δ(LSCCF ,0≤x≤ 0 1)氧化物为单一钙钛矿相 ,其烧结过程可以分为 3个阶段 :即反应原料的变化 ;LaCoO3 基氧化物的生成 ;LSCCF固溶体的形成。LSCCF复合掺杂材料电导率的最大值都超过了 10 0S·cm- 1 ,其导电机制可以用p型小极子的绝热空隙理论来解释     

SYNTHESES AND ANTIMICROBIAL ACTIVITY OF NOVEL POLYURETHANE IONOMERS

This study is concerned with the removal of Staph aureus from water by polyurethaneionomers. All the samples are quaternary ammonium salts which possess a positive chargeon the surface. The ratio of the soft segment to diisocyanate and chain extender is 1:2:1and the ionization degree is 100%. The ionomers strongly capture microbial cells on theirsurfaces in a living state and the hydrophilicity of polymer matrix used in the studyenhanced the affinity of the polymer for bacterial cells. The adhesion of the microorganismto polymer was due mainly to electrostatic interaction between them. The calculation ofthe viable cell count showed that D value for Staph.aureus is not proportional to the nitro-gen concentration. The microorganism capture ability of pyridinium-containing polymer isgreater than that of piperazine based samples.     

AlmN2和AlmN+2(m=1～8)团簇结构与稳定性的量子化学研究

用密度泛函理论(DFT）的B3LYP方法，在6-311G水平上AlmN2和AlmN^ 2(m=1～8)团簇的几何构型、电子结构、振动频率和分子轨道进行了理论研究．结果表明，AlmN2类团簇的基态结构有两种基本构型，一种是以N-N键为核心周围与Al原子相配位形成的，一种是由两个AlnN(n≤m，2)分子碎片通过共用Al原子或Al—Al键相互结合形成的．对AlnN分子碎片相互结合形成结构的绝热电离能讨论得到，m为偶数的团簇比m为奇数的稳定。     

Ionic-Liquid-Gating Induced Protonation and Superconductivity in FeSe,FeSe_(0.93)S_(0.07), ZrNCl, 1T-TaS_2 and Bi_2Se_3

We report protonation in several compounds by an ionic-liquid-gating method, under optimized gating conditions.This leads to single superconducting phases for several compounds. Non-volatility of protons allows post-gating magnetization and transport measurements. The superconducting transition temperature T_c is enhanced to 43.5 K for FeSe_(0.93)S_(0.07), and 41 K for Fe Se after protonation. Superconducting transitions with T_c～15 K for ZrNCl,～7.2 K for 1-TaS_2, and ～3.8 K for Bi_2Se_3 are induced after protonation. Electric transport in protonated FeSe_(0.93)S_(0.07) confirms high-temperature superconductivity. Our~1 H nuclear magnetic resonance(NMR)measurements on protonated Fe Se_(1-x)S_x reveal enhanced spin-lattice relaxation rate 1/~1T_1 with increasing x,which is consistent with the LDA calculations that H~+ is located in the interstitial sites close to the anions.     

泛系分析：数学.方法论.相对论.辩证思维

基于对广义系统、泛导、泛对称、泛箱原理、泛系相对性提出了新的分析模式与新的相对数学化的简化强化的定义，发展了泛系方法论与泛系相对论的框架与理法，具体内容涉及相对普适的数学化的泛系，200类对偶，对偶转化，泛对称转化，泛系辩证，八畴方法，泛系数学方法，广义量化，逼近转化原则，泛等价定理，供求分析，思维实验，广义灰色系统，等等     

高耐压和低暗计数SiC紫外雪崩光电二极管

碳化硅（SiC）雪崩光电二极管（APD）是一种独具优势的微弱紫外光探测器,其过偏压承受能力是确保器件可靠工作的一个重要因素。本工作设计并制备了穿通型SiC吸收层-电荷控制层-雪崩倍增层分离（SACM）APD。基于这种结构,器件电场从雪崩倍增层向吸收层扩展,从而减小了雪崩倍增层内电场强度变化率,最终将器件过偏压承受能力提高到10 V;得益于吸收层的分压,雪崩倍增层的电场强度得到有效降低,载流子隧穿可能性减小,这能够有效降低器件暗计数,从而有利于提高器件探测灵敏度;此外,设计的SiC SACM APD倾斜台面仅刻蚀到雪崩倍增层上表面,这能够让器件填充因子提高至约60%,显著改善了深刻蚀导致的传统SACM结构有效光敏区域减小的问题。     

Probe R-Parity Violating Supersymmetry in Forward--Backward Asymmetry

We investigate the possibility of probing R-parity violating interactions in forward-backward asymmetries, and conclude that the Tevatron collider is the best place to measure new interactions involving the first generation of quarks. With additional down type squark ~dk contributions, the charge asymmetry in e＋e— events around Z-pole mass region at the Tevatron will be sensitive to R-parity violating couplings λ’11k, which was inaccessible to the LEP Qfb had inclusive measurement. Assuming no apparent deviation from SM prediction is observed, λ’11k〈 0.19 at 95% C.L. with squark mass Mdk=100 GeV can be derived.     

浅谈珠脑速算的发展前景

珠脑速算教育是启迪智力,进行素质教育,功在当代,利在千秋的“重要工程”。它具有早期开发儿童智力,增强儿童感知力、想象力、记忆力等功能,那么这项科研项目,它的发展前景如何?成为从事这项科研的工作者