A Novel Method for Preparation of Nanometer ZnO

In spite of many methods have been developed for preparation of nanometer ZnO, e.g. colloidal-gel, vacuum vaporization-condensation et al,its still not easy and convenient to prepare nanometer particle practically. A novel method proposed here enables us to prepare it conveniently via gas_solid phase reaction.     

导电聚苯胺线膜修饰ZnO纳米棒阵列的可控制备及其紫外探测性能

基于p-n结的光生伏特效应可构筑性能优异的UV探测器,本文采用水热法可控制备竖直排列的氧化锌纳米棒阵列(n型ZnO-NRs),利用原位聚合法在ZnO-NRs表面上修饰p型聚苯胺线膜(PANI-NWs),再组装成ZnO-NRs与ZnO-NRs/PANI-NWs紫外探测器.通过扫描电镜(SEM)、X射线衍射仪(XRD)、紫...     

快凝Pd82Si18合金原子团簇的演化特性及遗传机制

采用分子动力学(MD)模拟计算,对Pd82Si18合金快凝过程中基本原子团簇的遗传特性、演化趋势和结构稳定性进行了研究.团簇类型指数法(CTIM)分析表明:非晶固体中Si原子为中心的(102/14418/1551)双帽阿基米德反棱柱(BSAP)团簇数目占据优势.快凝过程中,BSAP结构团簇具有最大的遗传分数,并且其他以Si原子为中心的Kasper团簇大多都会向BSAP结构团簇转变.通过对Si原子为中心的Kasper基本团簇电子性质第一性原理计算发现,体系中BSAP团簇的结合能最低,结构稳定性较高,与分子动力学计算结果一致.     

A vacancy state on ZrNx (100)

A vacancy-induced state at about 2 eV below the Fermi-level is found in calculated normal-emission angle resolved UV photo-electron spectra for substoichiometric ZrN_x (100) in good agreement with very recent experimental data.     

绿原酸亲水性磁性分子印迹树脂的合成及其固相萃取性能评价

以绿原酸（CGA）为模板分子、间苯二酚和三聚氰胺为双功能单体、甲醛为交联剂在磁性介孔二氧化硅（Fe₃O₄@mSiO₂）的介孔中一步聚合形成亲水性磁性分子印迹树脂（MMIRs）。除去mSiO₂载体后，MMIRs具有多孔结构且印迹位点位于材料表面。透射电镜、傅里叶变换红外光谱、振动样品磁强计、热重分析和水接触角实验表明：分子印迹聚合物层成功地包覆在Fe₃O₄表面，MMIRs具有良好的亲水性和磁固相萃取性能。MMIRs对CGA具有较强的吸附容量（50.87 mg/g）、较快的吸附速率（吸附平衡时间70 min）和较好的特异性吸附性能。将MMIRs用于杜仲黑茶中CGA的选择性分离，采用高效液相色谱分析检测，检出限为0.7 mg/L，回收率为93.1%~109.4%，相对标准偏差（RSD）小于9.6%。结果表明MMIRs可简单、快速、高选择性地分离富集复杂水体系样品中的CGA。     

Adsorption Isotherms and Sites Distribution of Caffeic Acid – Imprinted Polymer Monolith from Frontal Analysis

The frontal analysis technique was successfully applied to the determination of the adsorption isotherms of the imprinted polymer monolith prepared by a in-situ synthesis method using caffeic acid as the template, and methacrylic acid, ethyl glycol dimethacrylate and2,2-azobisisobutyronitrile as the functional monomer, cross-linker and initiator, respectively, with tetrahydrofuran-iso-octane (2:1, /) as a porogen. Adsorption isotherms of the monolith were measured at 25, 45 and 60°C using tetrahydrofuran containing 1, 3 and 5% acetic acid as mobile phase, respectively. The adsorption capacity of the monolith for the template was found to be much stronger than the other structurally related compounds. The column temperature significantly affected the adsorption capacity of the monolith. The acetic acid in the mobile phase showed some influence on the adsorption of the template on the stationary phase. The adsorption behavior of the template on the monolith is best described by the Freundlich isotherm. From the best coefficients of the Bi-Langmuir fit, the binding constant and saturation capacities of the molecularly imprinted polymer monolith were obtained.     

Ni(pz)4Cl2型络合物的光、热、磁性质的研究

利用ｄ＾８（Ｄ４ｈ）全组态混合统一晶场理论计算了Ｎｉ（ｐｚ）４Ｃｌ２型物中Ｎｉ＾２＋离子的吸收光谱、顺磁磁性 率及Ｓｃｈｏｔｔｋｙ热容。理论结果与实验一致。     

Ni(mpz)4I2型化合物光磁性质的理论研究

关于NIN。X。卜二PZ…yrazol句、m卫Z仔methylPyrazole）2X二CI、Br、I］类型化合物山中Ni’十离子的光学吸收谱、顺磁共振谱、顺磁磁化率、磁化强度的实验已有报导［’－’］．结构资料［’。’］表明，Ni（pzhX。型化合物中Ni’”离子的环境晶场严格说来属干C点群对称性·根据N1（n田zhBIZ与M“mPZ）4ErZ具有相似的X射线衍射花样·而M…mPzhBIZ中Ni’”离子的配位场具有C点群对称性．据此Vermaas等人假定Ni（mPZhX。型化合物具有类似于Ni（PZhX。的分子结构问；并利用D。。点群对称性模型对它的光谱、磁化率、磁化强度…     

纳米SnO的溶胶-凝胶法制备与电化学性能

以氯化亚锡、草酸和无水乙醇为原料，采用溶胶-凝胶法制备了纳米SnO粉末，并用热重-差热分析、X-射线衍射分析、透射电镜和扫描电镜等多种电化学方法对其进行了表征。结果表明，采用溶胶-凝胶法可以制备出粒度分布较集中，平均粒径在20 nm左右的纳米SnO粉末。该纳米SnO的可逆容量达到607 mAh·g^-1，经80次循环后平均每次循环的容量损失只有0.056%，说明纳米SnO是一种优秀的高容量锂离子电池负极材料。     

锂离子电池用SnO2-聚苯胺复合负极材料的制备与表征

以苯胺、过硫酸铵和SnO₂为原料通过微乳液聚合法合成了SnO₂-聚苯胺的复合材料，并通过X-射线衍射、红外吸收光谱、扫描电镜和电化学测试等手段对所得复合材料进行了表征与分析。结果表明，复合材料中的聚苯胺是无定形的，聚苯胺在反应过程中沉积在SnO₂颗粒上形成SnO₂被聚苯胺包裹的复合材料。电化学测试说明，该复合材料的首次容量达到657.6 mAh·g^-1，经过80次循环后每次循环的容量衰减率仅为0.092%。