脉冲激光制备薄膜材料的烧蚀机理

研究了脉冲激光烧蚀靶材的整个过程.从包含热源项的导热方程出发，利用适当的动态边界条件，详细研究了靶材在熔融前后的温度分布规律，并且给出了熔融后的固、液分界面的变化规律.熔融后的温度演化规律和固液相界面均以解析表达式的形式给出.还根据能量平衡原理给出烧蚀面位置随时间的变化规律.以硅靶材为例计算模拟了激光烧蚀的整个过程，与实验结果符合较好. 关键词： 脉冲激光 烧蚀面 熔融 温度演化     

Magnéli相亚氧化钛Ti8O15的电子结构和光学性能的第一性原理研究

采用基于密度泛函理论的平面波超软赝势法研究了Magnéli相亚氧化钛Ti₈O₁₅的电子结构和光学性能. 计算出的能带结构显示Ti₈O₁₅相比锐钛型TiO₂禁带宽度大幅度降低. 态密度分析表明, 其原因在于Ti₈O₁₅的O原子的2p轨道以及Ti原子的3p, 3d轨道相对于TiO₂的相应轨道向左产生了偏移, 同时由于O原子的缺失使得Ti原子的3d, 3p轨道多余电子在Fermi能级附近聚集形成新的电子能级. 态密度分析结果还显示, 相对于TiO₂, Ti₈O₁₅ Fermi能级附近电子格局发生了如下变化: O原子的2p轨道电子贡献减少, Ti原子的3d轨道的电子对Fermi能级贡献增大. 光吸收计算图谱表明, TiO₂仅在紫外光区有较高的光吸收能力, 而Ti₈O₁₅由于禁带宽度变窄引起光吸收范围红移到可见光区, 从而在紫外光区和可见光区都有较高的光吸收能力, 计算结果与实验得到的紫外-可见漫反射吸收光谱结果一致. 关键词： 第一性原理 8O₁₅')" href="#">Magnéli相亚氧化钛Ti₈O₁₅ 电子结构 光学性能     

Three-dimensional mode shapes of a tire using experimental modal analysis

Experimental modal analysis of a tire was carried out. Mode shapes in the radial, tangential and lateral directions of the tire under radial and tangential excitation, respectively, were obtained for the first time. The consistency of tire experimental modal frequencies in three directions was observed after careful design and adjustment of the test method. This indicates the accuracy of the experiments. The phenomena discovered in this experimental study, such as the mode shapes of the rim and the complex modes of the tire, are discussed in detail. The modal parameters acquired from experimental modal analysis of the tire can be used for the modeling of tire dynamics.     

担载材料对TiO2薄膜光催化活性的影响

ＴＩＯ２薄膜催化剂光催化治理大气和水污染，具有实际应用的前景，受到科学界的高度重视“－‘’．实验结果发现，担载材料对膜的催化活性有很大影响”’，如采用玻璃、不锈钢。石英作为ＴＩＯ。膜的载体时，由于界面离子扩散作用的不同，使得膜的光催化活性有很大的差异...     

An N-Trifluoromethylation/Cyclization Strategy for Accessing Diverse N-Trifluoromethyl Azoles from Nitriles and 1,3-Dipoles

N-Trifluoromethyl azoles are valuable targets in medicinal chemistry, but their synthesis is challenging. Classical preparation of N-CF₃ azoles relies on the functional group interconversions but suffers from tedious N-pre-functionalization and unfriendly agents. Introduction of the CF₃ onto the nitrogen of heterocycles provides a direct route to such motifs, but the N-trifluoromethylation remains underdeveloped. Reported here is an alternative and scalable cyclization strategy based on NCF₃-containing synthons for constructing N-CF₃ azoles. The approach involves the N-trifluoromethylation of nitriles followed by a [3+2] cyclization between resulting N-CF₃ nitrilium derivatives and 1,3-dipoles. PhICF₃Cl was an effective CF₃ source for the transformation. As a result, a generic platform is established to divergently synthesize N-trifluoromethylated tetrazoles, imidazoles, and 1,2,3-triazoles by using sodium azide, activated methylene isocyanides, and diazo compounds as dipoles.     

Production of water-soluble sugar from cellulose and corn stover via molten salt hydrate impregnation and separation

Cellulose - Saccharification of cellulose into glucose is a key step for the utilization of lignocellulose. Molten salt hydrate (MSH) is unique in selective hydrolysis of cellulose into glucose but...     

基于cypate光裂解的新型近红外光响应稀土上转换纳米载药系统※

光响应药物释放体系具有非侵入性、远程可控且时空分辨率高等特点, 在杀菌、抗癌等生物医学领域具有重要应用价值. 但目前近红外光响应的光裂解药物递送体系报道较少且光响应效率还有待提高. 本工作将稀土纳米颗粒包覆介孔二氧化硅, 逐步偶联近红外染料cypate、金刚烷胺和β-环糊精来封堵孔口, 利用cypate的自敏光氧化断键作为光响应开关, 成功构建了一种新型近红外光响应稀土上转换纳米载药系统. 该纳米载药系统负载抗生素氧氟沙星表现出极低的药物流失率和较高的808 nm光照释放效率, 并且通过控制光照时间可以满足不同的给药量需求. 体外抗菌实验结果进一步验证了该纳米载药系统的光响应药物释放性能. 此外, 该纳米载药系统在980 nm激光激发下的上转换发光较强且不影响药物释放, 可以实现纳米载药系统的药物定位和生物成像功能. 本研究为发展高效光响应载药体系提供了新的思路.     

Multiplication operator on the weighted Bergman space of the unit ball北大核心CSCD

Multiplication operator is an important class of operators in function space. We mainly research the properties of the multiplication operator on the weighted Bergman space of the unit ball. ©, 2015, Chinese Academy of Sciences. All right reserved.