异型碳纳米管储氢性能的分子动力学模拟研究

采用分子动力学(MD)方法对三种理想的Y型碳纳米管[记为Y(4,4), Y(6,6), Y(10,0)]和三种L型碳纳米管[记为L(9,0), L(6,6), L(10,0)]之储氢性能进行了模拟研究, 并与相应的直线型碳纳米管的储氢能力进行了比较, 同时考察了温度、碳纳米管的直径和螺旋性以及缺陷的位置和大小对异型碳纳米管储氢性能的影响. 结果表明, 在室温和低温条件下, 异型碳纳米管的储氢量高于直线型碳纳米管的储氢量, 且其储氢量大小随温度的降低和碳管直径的增大而增加, 椅式碳纳米管的储氢性能优于齿式碳纳米管, 而缺陷的位置和大小对异型碳管之储氢性能的影响则因碳管的形貌和直径的大小不同而存在差异.     

生物分子功能化碳纳米管

利用生物分子功能化碳纳米管,使其具备生物相容性和特殊的识别功能并引入生物体系是一项极具应用潜力的研究.如何利用不同种类的生物分子功能化碳纳米管则是该领域须解决的一个关键问题.本文综述了利用生物分子酶、蛋白质、氨基酸、肽螺旋、DNA功能化碳纳米管的最新研究进展,重点介绍了碳纳米管侧壁与端口的DNA功能化以及碳纳米管的DNA填充,并对DNA功能化碳纳米管在生物传感器、电化学检测及DNA操纵碳纳米管自组装方面的应用作了阐述.     

碳纳米管在水处理材料领域的应用*

碳纳米管是国内外广泛关注的一类碳材料,近年来逐渐成为水处理材料领域的一个研究热点。本文就碳纳米管在水处理材料领域应用研究进展作综合论述,介绍了基于碳纳米管水处理材料改性和制备方法,总结了碳纳米管用于水处理吸附材料、光催化降解复合材料、吸附材料载体以及湿式氧化催化剂载体等方面的研究进展,分析了碳纳米管作为吸附材料、吸附材料/催化材料载体以及碳纳米管用于光催化降解复合材料的原理。     

功能化碳纳米管的电磁性能研究及进展

碳纳米管是最近发展起来的一种结构独特,性能优异的新材料,已成为当今物理、化学、材料等领域共同关注的课题.而碳纳米管的功能化更是为我们开辟了一个广阔的研究领域.本文总结了近十多年来功能化碳纳米管的研究进展,并侧重对功能化碳管的合成方法及电磁特性以及应用进行了评述.     

石墨烯/碳纳米管复合材料的制备及应用进展

石墨烯和碳纳米管都是纳米尺寸的碳材料,具有极大的比表面积、良好的导电性以及优秀的机械性能等特性. 选择合适的方法制备出石墨烯/碳纳米管复合材料,它们之间可以产生一种协同效应,使其各种物理化学性能得到增强,因而这种复合材料在很多领域有着极大的应用前景. 以石墨烯/碳纳米管复合材料为综述对象,详细地介绍了它的制备、掺杂和应用等方面的进展,同时也对其发展前景进行了展望. 这种复合材料不仅被成功地应用在电容器、光电器件、储能电池、电化学传感器和其它领域,而且也会在这些领域内深化并向其它领域延伸.     

超长碳纳米管的结构调控与制备：进展与挑战

碳纳米管由于其优异的性能和广泛的应用,在过去近三十年中引起了研究者广泛的研究兴趣。在众多不同类型的碳纳米管中,超长碳纳米管由于具有厘米级甚至分米级以上的宏观长度和相对完美的结构,展示出了优异的力学、电学、热学等多方面的优异性能,在透明显示、微电子产业、超强纤维、航空航天等领域具有广阔的应用前景。超长碳纳米管的结构控制制备是充分开发其优异性能并实现其实际应用的关键。在过去二十多年间,超长碳纳米管的研究取得了重要的进展。但同时,在结构控制与批量制备方面也面临巨大的挑战,还存在许多尚未解决的科学与技术难题,从而限制了其实际应用。本文对超长碳纳米管的生长机理、结构控制、选择性制备以及优异性能方面的进展及其背后的创新思想进行了系统的回顾;与此同时,讨论了超长碳纳米管近年来的研究进展、目前面临的挑战和未来的重点攻关方向。期望本文能为超长碳纳米管的可控合成、批量制备以及未来应用提供更多的启发和借鉴,为早日实现高质量超长碳纳米管的宏量制备和产业化起到一些推动作用。     

碳纳米管纤维的连续制备及高性能化

碳纳米管纤维是一种碳纳米管的宏观聚集体,是由碳纳米管及管束组装而成的连续纱线,具有高强、高韧、高导电等特性,在结构功能一体化复合材料、纤维状能源器件、人工肌肉以及轻质导电线缆等领域具有非常广泛的应用前景。经过近二十年的发展,碳纳米管纤维材料在连续制备技术、高性能化以及应用探索等方面相继取得了突破性的研究进展。本文总结了碳纳米管纤维材料的发展历程,对比介绍了碳纳米管纤维的不同连续制备与组装技术,重点讨论了碳纳米管纤维结构与性能之间的关联规律,并对目前碳纳米管纤维的高性能化方法进行了综述。在此基础上,对碳纳米管纤维材料的发展思路以及未来的应用方向进行了展望。     

纳米碳材料在可穿戴柔性导电材料中的应用研究进展

可穿戴设备的兴起使得对柔性器件的需求日益提高,柔性导电材料作为可穿戴器件的重要组成部分而成为研究的热点。传统的电极材料主要是金属,因金属材料本身不具有柔性,一般通过降低金属层厚度以及设计波纹结构等策略实现其在柔性器件中的应用,其加工程序复杂,成本较高。以碳纳米管和石墨烯为代表的纳米碳材料兼具良好的柔性和优异的导电性,且具有化学稳定、热稳定、光学透明性等优点,在柔性导电材料领域展现了极大的应用潜力。本文简要综述了近年来纳米碳材料在柔性导电材料领域的研究进展,首先介绍了碳纳米管基柔性导电材料,分别包括基于碳纳米管水平阵列、碳纳米管垂直阵列、碳纳米管薄膜、碳纳米管纤维的柔性导电材料;继而介绍了石墨烯基柔性导电材料,包括基于剥离法制备的石墨烯和化学气相沉积法制备的石墨烯以及石墨烯纤维基柔性导电材料;并简述了碳纳米管/石墨烯复合柔性导电材料;最后论述了纳米碳材料基柔性导电材料所面临的挑战并展望了其未来发展方向。     

碳纳米管薄膜的制备及其在柔性电子器件中的应用

近年来,柔性电子器件的发展日新月异。以碳纳米管为代表的碳纳米材料,尤其是其组装成的宏观结构碳纳米管薄膜具有良好的柔性和优异的导电性,且具有化学稳定、热稳定、光学透明性等优点,在柔性电子领域展现了极大的应用潜力。本文简要综述了近年来碳纳米管薄膜在柔性电子器件领域的研究进展。首先详细介绍了碳纳米管薄膜的两类主要制备方法,分别为干法制备和湿法制备;继而介绍了碳纳米管薄膜在多种柔性电子器件的组装、性能与应用方面的最新研究进展;最后总结了碳纳米管薄膜基柔性电子领域的发展现状,并讨论了该领域所面临的挑战及其未来前景。     

碳纳米管/聚合物复合材料

本文简要介绍了碳纳米管的纯化和表面改性方法,着重对碳纳米管/聚合物复合材料的制备方法、微观结构表征及其力学、电学、光学等性能的研究进行了综述;简述了此类复合材料在电学、电磁屏蔽材料及吸波隐身材料、纤维材料以及航天工业等领域的应用,探讨了该研究领域所面临的一些问题及今后的发展方向。     

金属-分子-金属结器件研究进展

有机功能分子是新型纳光电器件研究热门材料之一, 多用金属-分子-金属结方法研究其荷电输运特性.本文从无损制备、微纳尺度及可寻址性等方面, 综述了金属-分子-金属结器件研究进展. 将制备方法归为软接触法、扫描探针显微镜法、对电极法、交叉线法、角沉积法和纳米孔法等六大类, 并分析了不同方法及实验参数对荷电输运特性的影响. 总的来说, 扫描探针法可用于分子电学特性的快速统计分析, 但可寻址性差; 纳米孔分子结具有良好的可寻址性, 可用于分子输运特性的变温研究, 但上电极沉积可导致分子层破坏或界面特性不确定; 角度沉积法和软接触法可有效减少电极热沉积对分子层的烧蚀, 但器件尺度较大; 对电极法可获得纳米级可寻址分子结, 若结合模板压印交叉纳米线法制备电极, 则在无损分子器件研究及其集成方面有很好的前景.     

Direct deposition of chitosan macromolecules on a substrate from solutions in supercritical carbon dioxide: Solubility and conformational analysis

Chitosan and its derivatives are promising materials for coating medical devices because this procedure improves their bio- and haemocompatibility. It is known that supercritical carbon dioxide attracts significant scientific interest in biomedical applications as well. Coatings deposited directly from solutions in supercritical carbon dioxide are expected to have particularly smooth and uniform morphology that should enhance their stability. We have tested the possibility of obtaining chitosan films using direct deposition from solutions in this fluid. In order to reveal benefits of this approach we modelled and studied the initial stage of formation of chitosan coatings with prototype system of depositing pioneer single polymer chains directly from such solutions on a model ultrasmooth mica substrate. We estimated achievable solubility of the chitosan materials in supercritical carbon dioxide and performed conformational analysis of the deposited chitosan chains on a substrate. AFM imaging directly demonstrated that the pioneer macromolecules adsorb as rather extended 2D coils from such solutions.     

Pyrazolinofullerenes: a less known type of highly versatile fullerene derivatives

The cycloaddition of readily available nitrile imines to [60]fullerene affording 2-pyrazolino[60]fullerenes is a versatile procedure for the functionalization of fullerenes. In contrast to other functionalization methods these cycloadducts are obtained generally in good yields as single isomers, thus avoiding the formation of undesired stereoisomers. This tutorial review discusses these less known fullerene compounds that display, however, interesting electrochemical and photophysical properties. Owing to their outstanding electron acceptor character, similar to pristine C(60), and their remarkable thermal stability, these cycloadducts are good candidates for incorporation in photovoltaic devices. However, more work is needed in order to design better pyrazolinofullerenes exhibiting improved performances for PV applications.     

多孔硅表面钝化对其发光性能的影响

报道多孔硅（PS）的表面钝化对其光致发光（PL）和电致发光（EL）的影响。PL和EL谱表明,经钝化处理的PS的PL和EL强度明显增强,且发光峰位较大蓝移;存放实验表明,经钝化处理的PS的PL和EL发光强度和发光峰位具有较好的稳定性;I～V曲线显示,经钝化处理的PS发光器件具有较低的启动电压。这些结果表明：用钝化处理的方法是提高PS的PL和EL强度和稳定性及改善其器件性能的有效途径。     

The electronic structures and properties of open-ended and capped carbon nanoneedles

The existence of a family of very thin carbon needlelike nanostructures is predicted: the geometry and stability of several carbon nanoneedles (CNNs) formed by C4 and C6 units have been studied by quantum chemistry computational modeling methods. The structures of carbon nanoneedles are tighter than even the smallest single wall nanotubes (SWNTs) based on (4, 0) naphthacene. The electronic properties, energetic stability of geometrical structures with various terminal units are investigated. The relatively large band gaps, the strong bonding, and additional orbital interactions within the C4 rings and between the C4 layers make the H4(C4)(n)H4 type molecules nonmetallic. We have found indications that if the CNN (3, 0) structures are very long (in the limit of infinite-length), then they are likely to have semiconducting properties and could possibly be used as actual semiconductors. The studied families of CNNs can be considered as carbon nanostructures with unique structural and chemical properties and with possible potential for unusual electronic properties, with likely practical applications as nanomaterials and nanostructure devices.     

Dispersions, novel nanomaterial sensors and nanoconjugates based on carbon nanotubes

Nanomaterials are structures with dimensions characteristically much below 100 nm. The unique physical properties (e.g., conductivity, reactivity) have placed these nanomaterials in the forefront of emerging technologies. Significant enhancement of optical, mechanical, electrical, structural, and magnetic properties are commonly found through the use of novel nanomaterials. One of the most exciting classes of nanomaterials is represented by the carbon nanotubes. Carbon nanotubes, including single-wall carbon nanotubes, multi-wall carbon nanotubes, and concentric tubes have been shown to possess superior electronic, thermal, and mechanical properties to be attractive for a wide range of potential applications They sometimes bunch to form “ropes” and show great potential for use as highly sensitive electronic (bio)sensors due to the very small diameter, directly comparable to the size of single analyte molecules and that every single carbon atom is in direct contact with the environment, allowing optimal interaction with nearby molecules. Composite materials based on integration of carbon nanotubes and some other materials to possess properties of the individual components with a synergistic effect have gained growing interest. Materials for such purposes include conducting polymers, redox mediators and metal nanoparticles. These tubes provide the necessary building blocks for electronic circuits and afford new opportunities for chip miniaturization, which can dramatically improve the scaling prospects for the semiconductor technologies and the fabrication of devices, including field-effect transistors and sensors. Carbon nanotubes are one of the ideal materials for the preparation of nanoelectronic devices and nanosensors due to the unique electrical properties, outstanding electrocatalytic properties, high chemical stability and larger specific surface area of nanotubes. Carbon nanotubes are attractive material for supercapacitors due to their unique one-dimensional mesoporous structure, high specific surface area, low resistivity and good chemical stability. Nanoscaled composite materials based on carbon nanotubes have been broadly used due to their high chemical inertness, non-swelling effect, high purity and rigidity. The integration of carbon nanotubes with organics, biomaterials and metal nanoparticles has led to the development of new hybrid materials and sensors. Hybrid nanoscale materials are well established in various processes such as organic and inorganic compounds, nucleic acid detachment, protein separation, and immobilization of enzymes. Those nanostructures can be used as the building blocks for electronics and nanodevices because uniform organic and metal coatings with the small and monodisperse domain sizes are crucial to optimize nanoparticle conductivity and to detect changes in conductivity and absorption induced by analyte adsorption on these surfaces. The highly ordered assembly of zero-dimensional and one-dimensional nanoparticles is not only necessary for making functional devices, but also presents an opportunity to develop novel collective properties.     

All-carbon molecular tunnel junctions

This Article explores the idea of using nonmetallic contacts for molecular electronics. Metal-free, all-carbon molecular electronic junctions were fabricated by orienting a layer of organic molecules between two carbon conductors with high yield (>90%) and good reproducibility (rsd of current density at 0.5 V <30%). These all-carbon devices exhibit current density-voltage (J-V) behavior similar to those with metallic Cu top contacts. However, the all-carbon devices display enhanced stability to bias extremes and greatly improved thermal stability. Completed carbon/nitroazobenzene(NAB)/carbon junctions can sustain temperatures up to 300 °C in vacuum for 30 min and can be scanned at ±1 V for at least 1.2 × 10(9) cycles in air at 100 °C without a significant change in J-V characteristics. Furthermore, these all-carbon devices can withstand much higher voltages and current densities than can Cu-containing junctions, which fail upon oxidation and/or electromigration of the copper. The advantages of carbon contacts stem mainly from the strong covalent bonding in the disordered carbon materials, which resists electromigration or penetration into the molecular layer, and provides enhanced stability. These results highlight the significance of nonmetallic contacts for molecular electronics and the potential for integration of all-carbon molecular junctions with conventional microelectronics.     

基于碳量子点的光电器件应用新进展

碳量子点(CQDs)作为一种新型荧光碳纳米材料,由于其较高的电子迁移率、较长的热电子寿命、极快的电子取出速度,可调的带隙宽度、较强的稳态荧光等独特的光电性质和可溶液加工、成本低廉的特点,使得CQDs在光电器件领域具有广阔的应用前景,近年来受到人们的广泛关注,重要的研究成果不断涌现。本文首先简要介绍了CQDs的合成方法、化学结构及其光电性质,然后总结了CQDs在发光二极管(LEDs)、太阳能电池(SCs)和光电探测器(PDs)等光电器件领域的研究进展,最后对CQDs的发展方向进行了展望。