双金属合金团簇M12Ni(M=Pt,Sn,Cu)催化甲烷干法重整反应的理论研究

利用密度泛函理论(DFT)研究了M₁₂Ni(M=Pt, Sn, Cu) 3种双金属合金团簇的电子活性和结构稳定性, 并探讨了甲烷干法重整反应(DRM)在M₁₂Ni双金属团簇表面的反应能量变化情况. 经比较发现甲烷脱氢和二氧化碳活化过程在Pt₁₂Ni团簇表面进行需克服的活化能垒最低, 反应最易进行. Sn₁₂Ni团簇上生成碳需要较高的活化能, 说明Sn₁₂Ni团簇能够有效抑制焦碳的生成, 一定程度上克服了碳沉积导致的催化剂失活现象, 并且Sn₁₂Ni团簇在C ^*和CH ^*氧化过程中表现出最佳的催化活性. Cu₁₂Ni团簇仅在甲烷脱氢过程中表现出较为优异的催化活性.     

判别分析方法在医学应用中的进展

本文对医学领域中判别分析方法的新进展做一综述,介绍了微阵列基因表达数据判别分析中偏最小二乘法降维、离散小波变换法降维、logitboost算法、随机森林、模糊核判别分析以及时间序列多元数据有序判别分析法、自身有变化规律数据的变系数logistic回归模型判别分析法的基本思想、算法和适用条件。     

随机单调条件下一般化倒向随机微分方程的适应解

本文讨论了如下一般化倒向随机微分方程适应解的存在唯-性问题,Yt=ξ+fTtf(s,Ys,Zs)ds-fTtg(s,Ys)dAs-fTtZsdWs,0≤t≤T,其中Ws为d-维标准Wiener过程,As为一维零初值的Fs-循序可测增过程.我们通过构造函数逼近序列的方法证明了,在系数函数f和g关于Y满足随机单调, f关于Z满足随机Lipschitz条件下,方程存在唯一适应解.     

一类二阶非线性差分方程的全局吸引性

考虑二阶非线性差分方程xn＋1=a＋bxn/A＋xn-1,n=0,1,2,….证明了当条件a,b,A∈（0,∞）成立时方程的唯一正平衡点x^-=（b-A＋√（（b-A）2＋4a））～（1/2））/2是方程的所有正解的一个全局吸引子,所得推论证明了由Kocic和Ladas提出的一个猜想是正确的.     

整形种子脉冲克服放大过程中增益窄化效应的研究

对飞秒脉冲放大中通过整形种子脉冲光谱补偿增益窄化效应的过程进行了数值模拟;对比研究了普通种子脉冲放大过程和整形种子脉冲放大过程中的光谱增益特性;定义了带宽窄化率;讨论了初始啁啾量对注入种子脉冲及增益窄化效应的影响.计算结果表明：借助整形种子光谱可理想地补偿啁啾脉冲放大中的光谱窄化效应. 关键词：     

AlGaInP/GaAs HBT制备中质子注入隔离

对HBT工艺中质子隔离注入及其掩膜方法进行了研究.通过计算确定了最佳注入剂量.在一定的温度下退火,可增强隔离效果,最佳退火温度依赖于离子注入剂量,当温度增高时,电阻率又开始下降,并趋向恢复到退火前的状态.采用Si3N4加光刻胶双层掩膜,工艺简单,重复性好,样品无沾污现象,隔离效果佳,制备的器件直流特性较好. 关键词：     

Magnetic Properties of Co-Doped TiO2 Films Grown on TiN Buffered Silicon Substrates

Co-doped TiO2 thin films are grown on TiN buffered silicon substrates by the pulsed laser deposition method and then hydrogenated. Transmission electron microscopy and high-angle annular dark-field scanning transmission electron microscopy measurements have shown that the TiN buffer layer can suffer a 400℃ deposition temperature and prevent the growth of silicon dioxide on silicon. After that, the room temperature ferromagnetism behaviors are observed in the hydrogenated samples, which are measured by the alternating gradient magnetometer. X- ray photoelectron spectroscopy and x-ray absorption fine structure measurements have revealed the existence of cobalt clusters. According to the material analysis, the magnetic behavior after hydrogenation is suggested to be induced by the enhancement of cobalt dusters.     

利用PCC技术预测γ射线对肝癌细胞的辐射效应

利用早熟染色体凝集技术预测研究了γ射线对肝癌细胞SMMC-7721的辐射效应。结果表明,G1和G2期细胞内的染色单体和等点染色单体断裂数与照射剂量之间存在线性相关性,染色单体断裂总数与细胞存活率之间存在良好的线性相关性。说明辐射诱导的染色单体断裂可以作为预测SMMC-7721细胞内在辐射敏感性的指标,也可为临床诊断和治疗肝癌提供依据。     

凝胶-燃烧法合成YAG∶Eu3+纳米荧光材料的结构和发光性能

Y₃Al₅O₁₂∶Eu nanophosphors were synthesized by a gel combustion method. The structure of phosphors was characterized by XRD and FTIR. YAG phase came to occur when YAG∶Eu precursors were sintered at 800 ℃, although the phase was mainly amorphous. The organic groups pyrolyzed completely and pure YAG phase was obtained in the samples sintered at 900 ℃. In the formation of YAG phase, no intermediate phases such as YAP and YAM were detected. Both ⁵D₀ → ⁷F₁ orange and ⁵D₀ → ⁷F₂ red emission could be observed for all the sintered samples. However, the emission of amorphous samples was greatly different from that of crystalline ones. The former was mainly ⁵D₀→ ⁷F₂ red emission, but the latter was ⁵D₀ → ⁷F₁ orange emission. As sintering temperature rises, the ratio of orange to red for phosphors increases. Eu could be doped up to 8% in YAG host lattice, and fluorescence quenching was absent. It indicated that the gel combustion synthesis method can increase emission intensity and quenching concentration due to a good distribution of Eu³⁺ activators in Y₃Al₅O₁₂ matrix.     

稀缺资源的节省利用研究

本在建立模型的基础上,对稀缺资源的节省利用问题进行了研究,给出了稀缺资源能否节省的判别条件和具体作法。