硼碳氮纳米管的热解法制备及生长机理研究

以乙二胺、二茂铁和硼氢化钠为原料,以N2和H2为辅气,用钴作催化剂,在不同温度下制备出了具有竹节状结构的硼碳氮(BCN)纳米管.根据透射电子显微镜观察,分析了BCN纳米管的生长机理.B和N的同时掺杂,所形成的五边形结构比单独N掺杂时具有更低的形成能,是竹节状结构形成的主要原因.用Raman光谱可以用来表征BCN纳米管中B和N的掺杂程度及纳米管的质量.分析表明,在860℃下制备的BCN纳米管竹节状结构最密集,质量最好,产率最高.扫描俄歇微探针分析表明,在860℃下制备的BCN纳米管的元素组成比为B∶N∶C= 关键词： BCN纳米管 热解 透射电子显微镜 Raman光谱     

不同温度下二氧化硅纳米管的结构和振动性质的分子动力学模拟

采用三种势能模型, 利用分子动力学模拟研究了在300～1600 K内4、6和8元环的二氧化硅纳米管. 结果表明,三种纳米管的末端环的稳定性随温度的升高而降低. 通过振动态密度考察了二氧化硅纳米管的有效振动特性. 以及不同温度下二氧化硅纳米管的红外光谱.     

N掺杂TiO_2纳米管阵列的制备与性质研究

本文采用阳极氧化法制备了孔径为60-80nm,孔壁厚约为20-30nm的高有序度TiO2纳米管。将制备的TiO2纳米管经表面酸化后在浓氨水中浸泡,并于氮气气氛中进行退火处理,以实现TiO2纳米管的N掺杂。利用SEM、XRD、Raman和XPS对样品的形貌与结构进行了研究。结果显示,掺N后不会破坏阳极氧化形成的高有序纳度米管阵列,而且N的引入促进了TiO2纳米管在低温下由锐钛矿相向金红石相的转变。N掺杂样品的XPS中出现了结合能位于399.7 eV的峰,该峰来源于TiO2的间隙氮杂质,显示此方法在TiO2纳米管中实现了有效的N的掺杂。     

封装椭圆形C70的手性纳米管的理论表征

应用第一性原理计算,研究了椭圆形的C₇₀分子在碳纳米管中的可能取向．采用(14,7)单壁纳米管为原型材料,发现纳米管和C₇₀分子的弱化学相互作用是决定分子取向的决定因素．通过模拟扫描隧道显微镜图像和计算光学性质,发现封装的椭圆体C₇₀分子的局域电子结构敏感地依赖于分子取向     

氮化硼纳米管-纳米片分级结构的制备及光学和吸附特性

将五硼酸铵、 氨硼烷络合物和氧化镁混合, 球磨均匀后, 在1200 ℃及0.6 L/min流动氨气保护条件下退火6 h, 即可在氧化铝基片上收集到白色毛状产物. 采用X射线衍射(XRD), 红外光谱(FTIR)、 扫描电子显微镜(SEM)、 透射电子显微镜(TEM)、 拉曼光谱(Raman)、 紫外-可见吸收光谱(UV-Vis)和荧光光谱(PL)对产物进行了表征. 结果表明, 样品呈一维线状分级结构, 长度大于5 mm, 中间为竹节状空心结构, 内部管径为50~350 nm, 外径范围为200~800 nm. 分级结构表面负载了大量氮化硼(BN)纳米薄片, 单个薄片厚度约为13 nm. 薄片弯曲褶皱, 相互交织, 构成1个氮化硼片层, 其厚度约为50~200 nm. UV-Vis和PL光谱测试结果表明, 氮化硼纳米管(BNNT)分级结构在紫外光材料领域具有一定的应用潜力, 且对亚甲基蓝具有良好的吸附能力(7 min即可吸附71%, 107 min时可吸附96%). 对比实验结果表明, BNNT的生长机理遵循气-液-固相(VLS)模型, 而表面负载的超薄BN片的生长机理遵循气-固相(VS)模型.     

ZnO纳米棒阵列到纳米管结构的自转化机制及其在相变封装材料中的应用

In the emerging field of nanoscience, tubular structures have been attracting remarkable interest due to their well-defined geometry, high specific area, and exceptional physical and chemical properties. Among them, oriented ZnO tubular arrays are regarded as promising candidates for various applications such as optoelectronics, solar cells, sensors, field emission, piezoelectrics, and catalysis. Although template-directed and selective dissolution synthesizing strategies are commonly used to prepare ZnO nanotubes, repeatability and large scale preparation are still challenging. In this study, ZnO nanotube arrays were controllably prepared by tuning the hydrothermal parameters, without the use of any additives. The mechanism underlying the self-conversion of ZnO nanorods to nanotubes was comprehensively studied based on the surface energy theory. It has been proved that the metastable top surface of the ZnO nanorods dissolves preferentially to reach a stable state during the hydrothermal growth. The specific surface energy of different crystal faces of ZnO nanorods was calculated using molecular dynamics simulation. The top surface of the ZnO nanorod, the Zn-terminated [0001] face, demonstrated much higher surface free energy than did the lateral faces, which indicated that the self-dissolution of top face (002) is energetically favorable. The self-conversion behavior of ZnO nanorod arrays with different diameters was specifically investigated by adjusting the initial precursor concentration, density of the crystal seed layers, and growth time. The dissolution-crystallization equilibrium concentration, determined by crystal surface energy, was found to be a key factor for the formation of the tubular structure. Notably, the critical equilibrium conditions for the self-conversion of ZnO nanorods to nanotubes, including zinc ion concentration and pH, have been identified by studying parameters corresponding to the dissolution-crystallization equilibrium for the metastable top surface of the ZnO nanorods. The preparation of the ZnO nanotube arrays was successfully accelerated and simplified via two-step procedure: (1) preparation of ZnO nanorod arrays and (2) self-conversion of ZnO nanorods to nanotubes. The preparation method based on the self-conversion mechanism from rods to tubes for polar oxides is simpler and more easily controllable as compared to the reported methods involving variety of additives. Because of the advantages of adaptability to a wide range of substrates, excellent conducting properties, and filling ability, the prepared ZnO nanotube array films were used in encapsulating phase-change materials. The encapsulated phase-change material exhibited excellent heat storage/release properties and heat conductivities. This indicates the potential application of precision devices for temperature control.     

一步可控合成二氧化硅纳米管和空心球

通过简单的溶胶凝胶法在相同体系中可控合成了新颖有序的二氧化硅纳米管和空心球,对制备二氧化硅纳米管的多种反应条件进行了系统研究。发现反应时间、溶液中水和乙醇比例、搅拌和滴加速度对形成管状结构都有着重要影响。同时,纳米管的形成机理研究表明,在醇水混合溶液中柠檬酸三铵晶体为细柱状形貌,其作为重要的结构导向剂为二氧化硅胶晶附着提供模板,从而形成管状结构,二氧化硅空心球也显示了相似的形成过程。     

温度、应变率和空位缺陷对氮化硼纳米管压缩性能的影响

采用分子动力学方法,分别模拟了完好的和含有缺陷的氮化硼纳米管的轴向压缩过程。原子间的相互作用采用Tersoff多体势函数来描述。结果表明,同尺寸的锯齿型氮化硼纳米管的临界轴向压缩强度高于扶手型氮化硼纳米管,这与碳纳米管的研究结果一致。发现纳米管的压缩强度,如临界轴向内力在低温下受温度影响明显,并且和应变率的大小有关。然而,应变率对纳米管的弹性变形没有影响。另外,还发现空位缺陷降低了纳米管的力学性能。与完好的纳米管相比,含有缺陷的纳米管轴向压缩强度对于温度的影响并不敏感。     

锐钛矿相TiO2纳米管的制备及其染料敏化太阳电池

以商用金红石相TiO₂粉末为原料,通过在碱性溶液中150℃水热48h的方法合成TiO₂纳米管.采用SEM,TEM,XRD分析手段对TiO₂纳米管的形貌和结构演变进行了表征.制成的TiO₂纳米管与TritonX-100,乙酰丙酮混合后,通过丝网印刷的方法涂敷到ITO导电玻璃衬底上,并且在450℃下烧结30min后得到可应用于染料敏化太阳电池的多孔光阳极.将此光阳极浸泡于N719染料敏化后,与镀铂对电极组装电池,两者之间灌 关键词： 2纳米管')" href="#">TiO₂纳米管 染料敏化太阳电池 水热法