孤立分散在SiO2基质中的半导体InSb纳米颗粒界面效应的MS-XANES研究

利用MS-XANES计算研究了嵌入在SiO₂介质中的InSb纳米颗粒的界面效应, 结果显示Sb K-XANES实验谱在白线峰强度增大和白线峰向高能一侧展宽这两个特点的起因是: 1. SiO₂介质透过界面处强的Sb-O共价键间接地影响和改变了InSb团簇中Sb原子内部的势分布; 2. 通过InSb纳米颗粒界面处存在着强的Sb-O共价键使得Sb原子的5p电子被耗尽来提高InSb纳米颗粒Sb原子的5p的空穴数. 这两方面共同决定了InSb纳米颗粒的Sb K-XANES实验谱在白线峰 强度的增大. 此外, 由于纳米颗粒的界面效应, 仅仅把白线峰的强度增大归因于吸收原子电荷转移带来的空穴数增加, 并依此通过白线峰的强度计算吸收原子的空穴数是不合理的.     

CuO/γ-Al2O3单分散催化剂的XAFS研究

采用XAFS方法研究浸渍法制备并于低温焙烧的CuO/γ-Al2O3催化剂的局域结构.对于CuO负载量小于单层分散阈值的CuO/γ-Al2O3(0.4 mmol/100 m2),结果表明,CuO物种是以层状分散的孤立原子簇存在于γ-Al2O3载体表面,其第一近邻Cu－O配位环境的结构与晶态CuO的相似,键长和配位数分别为0.195 nm和4.对于CuO负载量等于单层分散阈值的CuO/γ-Al2O3(0.8 mmol/100 m2),已有少量的CuO纳米颗粒生成.对于CuO负载量大于单层分散阈值的CuO/γ-Al2O3(1.2 mmol/100 m2),其结构与多晶CuO的相近.基于CuO在γ-Al2O3载体上的三种不同分散状态的结构特点,我们提出了CuO/γ-Al2O3催化剂的结构模型.     

用热分析技术测定碳化硅粉体对聚乙二醇的吸附量

用热分析技术TG-DTA(thermal gravimetric and differential thermal analysis)测定浆料中碳化硅粉体对分散剂聚乙二醇PEG(polyethylene glycol)的吸附量. 结果显示PEG在Ar气氛中411.5 ℃时完全分解; 碳化硅表面分散剂PEG的吸附量随着pH的增大而下降, 在较高pH下大多数分散剂仍存在于溶液中; 分散剂PEG的吸附量通过公式(1)进行计算. 该方法简单方便, 可以应用于测量氧化物或非氧化物吸附紫外-可见分光光度法不能测定的一些有机聚合物分子.     

Synthesis of novel copolymer：Poly(p-dioxanone-co-L-phenylalanine)

In order to expand the application of poly(p-dioxanone) or PPDO in biomedical area,a series of novel copolymers were synthesized successfully by one-step,melted copolymerization of p-dioxanone(PDO) and L-phenylalanine N-carboxyanhydride(L-Phe-NCA) monomers.With the in-feed molar ratio of L-PheNCA /PDO equal to 1/20,the conversions of the two kinds of monomers were calculated from ~1H NMR. The average molecular weight and polydispersity of the copolymer increase with the increasing reaction time and catalyst concentration.However,the conversions of the two kinds of monomers did not change with the reaction conditions.A three-step mechanism is presented and proved by high resolution ~1H NMR and IR spectrums.     

Theoretical study of the optical gain characteristics of a Ge1-xSnx alloy for a short-wave infrared laser

Optical gain characteristics of Ge_(1_x)Snμx are simulated systematically.With an injection carrier concentration of 5×10~(18)/cm~3 at room temperature,the maximal optical gain of Ge_(0.922)Sn_(0.078) alloy(with n-type doping concentration being 5×10~(18)/cm~3) reaches 500 cm~(-1).Moreover,considering the free-carrier absorption effect,we find that there is an optimal injection carrier density to achieve a maximal net optical gain.A double heterostructure Ge_(0.554)Si_(0.289)Sn_(0.157)/Ge_(0.922)Sn_(0.078)/Ge_(0.554)Si_(0.289)Sn_(0.157) short-wave infrared laser diode is designed to achieve a high injection efficiency and low threshold current density.The simulation values of the device threshold current density J_(th)are 6.47 kA/cm~2(temperature:200 K,and λ=2050 nm),10.75 kA/cm~2(temperature:200 K,and λ=2000 nm),and23.12 kA/cm~2(temperature:300 K,and λ=2100 nm),respectively.The results indicate the possibility to obtain a Si-based short-wave infrared Ge_(1-x)Sn_x laser.     

Synthesis and characterization of acetylated sept-D-glucopyranose carbamate as an oligosaccharide donor简

An oligosaccharide donor, acetylated sept-o-glucopyranose tetradecyl carbamate, was designed and synthesized. This compound could be easily linked to hydroxyl-containing compounds through an Oglycosidic bond. Characterization of all the oligosaccharide intermediates and the final product was thoroughly discussed.     

Modeling of supercritical fluid extraction of flavonoids from Calycopteris floribunda leaves

The aim of this study was to obtain flavonoids extracts from Calycopteris floribunda leaves using supercritical fluid extraction (SFE) with CO₂ and a co-solvent. Pachypodol, a potential anticancer drug lead compound separated from the extracts, was examined. Classical organic solvent extraction (CE) with ethanol was performed to evaluate the high pressure method. HPLC analysis was introduced to interpret the differences between SFE and CE extracts in terms of antioxidant activity and the concentration of pachypodol. SFE kinetics and mathematical modeling of the overall extraction curves (OEC) were investigated. Evaluation of the models against experimental data showed that the Sovová model performs the best. The supercritical fluid extraction process was optimized using a central composite design (CCD), where temperature and pressure were adjusted. The optimal conditions of SFE were: pressure of 30 MPa and temperature of 35°C.     

高压下LiF和NaF的结构稳定性及其电子和光学性质的第一性原理研究

基于密度泛函理论，采用全势线性缀加平面波加局域轨道方法，计算模拟了LiF高压下的相变行为，预测其在450GPa附近发生由NaCl结构(B1)到CsCl结构(B2)的结构相变.同时还计算了高压下LiF不同相的电学特性，LiF的复介电函数以及介电常数随压强变化关系.通过比较能带结构的变化行为，得出LiF在53GPa附近还存在等结构相变，即由直接带隙结构变为间接带隙结构.将LiF的计算结果与另外一个同构化合物NaF进行了比较讨论. 关键词： LiF 压致相变 从头计算     

先位粉末套管法制备MgB2/Fe线材的超导性能研究

采用先位法将MgB2粉装入纯铁管中,制备出MgB2/Fe超导线材.用X射线衍射仪和扫描电子显微镜分析了样品的物相组成和显微结构;用SQUID测量了样品的超导转变温度;用标准四引线法测量了短样的临界电流.结果显示,超导样品的临界转变温度约为38.3 K,在4.2 K/4 T下MgB2/Fe线材的临界电流密度为～104A/cm2.研究结果表明,高温退火有效地减少了冷加工过程中产生的应力,改善了晶粒连接性,提高了芯材的致密度,可以显著地提高先位法制备线材的临界电流密度.     

高性能MgB2长线材制备及性能表征

采用原位粉末装管工艺,分别以Mg粉(99.5%),无定形B粉(99.9%)为原料,以纳米SiC(10-30 nm)作为掺杂材料制备铁基MgB2线.首先将已混合的原料在丙酮介质中球磨,真空干燥后,将粉末填入铁管内,然后通过孔型轧制、旋锻和拉拔等冷加工工艺得到11 m长外径Ф1.75 mm铁基MgB2超导线.用扫描电镜,电子能谱,X射线衍射仪和超导量子干涉仪测试发现,样品微观结构整齐,晶粒大小均匀,内部仅含微量MgO,TC(onset)= 35.1 K,ΔTC＝5.3 K.纳米SiC掺杂后,其中C造成MgB2晶格畸变,形成有效磁通钉扎中心,C元素在MgB2中分布均匀.标准四引线测试结果表明,11 m线均分10段后,各点的Jc(4.2 K,10 T)均超过1.0×104 A/cm2,最高值达到1.2×104 A/cm2.在10-18T范围各点临界电流值分布均匀,变化率小于10%.