NSF-EC Activity: Experimental and Theoretical Studies of Intercalated and Intracalated Carbon Nanotubes

NSF-EC 活动：插层和内插碳纳米管的实验和理论研究

基本信息

批准号：
0100273
负责人：
David Luzzi
金额：
$ 48万
依托单位：
University of Pennsylvania
依托单位国家：
美国
项目类别：
Continuing grant
财政年份：
2001
资助国家：
美国
起止时间：
2001-09-01 至 2005-02-28
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=0100273&HistoricalAwards=false
关键词：
NSF EC Activity Experimental Theoretical

项目摘要

The intrinsic structure and chemistry of nanotubes provide a framework upon which important functional nanoscale systems can be built. At the University of Pennsylvania, we are discovered and produced hybrid materials in which molecules are introduced into the lumen of nanotubes to impart new and improved functionality. The first of these was one-dimensional chains of C(60) molecules encapsulated in single-wall carbon nanotubes. The molecules were shown to be highly mobile within the tubes and therefore provide an ideal basis for the experimental and theoretical study of one-dimensional systems. We have recently shown that our synthesis methods are general and we have incorporated the alkali metals K and CS, and the endohedral molecule La(2)@C(60), inside of nanotubes. This can lead to important results. For example, calculations predict that the tensile modulus of nanotubes is greatly increased when they contain chains of C(60). Also, there are possible applications of these systems to hydrogen storage and Li-based batteries. An exciting prospect is the use of nanotubes as nanoscale reaction chambers to produce metastable molecules.%%%Our theory program first developed the intermolecular potentials among graphitic and fullerene structures and then applied one-dimensional statistical mechanics to analyze the clustering and one-dimensional equation of state of fullerene chains within nanotubes.

纳米管的固有结构和化学性质提供了构建重要功能纳米级系统的框架。在宾夕法尼亚大学，我们发现并生产了混合材料，其中分子被引入纳米管的内腔中，以赋予新的和改进的功能。第一个是封装在单壁碳纳米管中的 C(60) 分子的一维链。这些分子在管内具有高度的流动性，因此为一维系统的实验和理论研究提供了理想的基础。我们最近表明，我们的合成方法是通用的，我们将碱金属 K 和 CS 以及内嵌分子 La(2)@C(60) 合并到纳米管内部。这可以带来重要的结果。例如，计算预测，当纳米管含有 C(60) 链时，其拉伸模量会大大增加。此外，这些系统还可以应用于氢存储和锂基电池。一个令人兴奋的前景是使用纳米管作为纳米级反应室来生产亚稳态分子。%%%我们的理论程序首先开发了石墨和富勒烯结构之间的分子间势，然后应用一维统计力学来分析聚类和一维方程纳米管内富勒烯链的状态。