AVS 46th International Symposium
    Topical Conference on Emerging Opportunities and Issues in Nanotubes and Nanoelectronics Friday Sessions
       Session NT+NS+EM+MS-FrM

Paper NT+NS+EM+MS-FrM8
Materials Applications of Carbon Nanotubes: Hydrogen Storage and Polymer Composites

Friday, October 29, 1999, 10:40 am, Room 6C

Session: Nanotubes: Growth, Characterization and Properties II
Presenter: S.J.V. Frankland, North Carolina State University
Authors: S.J.V. Frankland, North Carolina State University
D.W. Brenner, North Carolina State University
Correspondent: Click to Email
Simulations addressing two applications of carbon nanotubes will be presented. Nanotubes have been proposed as storage media for hydrogen in fuel cells. Experiments have shown that the nanotube samples contain more hydrogen than will fit densely packed into the tubules themselves. Therefore, the location of the hydrogen is in question. The Raman shift of the hydrogen may provide a useful indicator of its placement. So far, two qualitative trends have been identified with molecular dynamics simulation which should enable the distinction of internal versus intercalated hydrogen. For internal hydrogen a decreasing Raman shift is observed with increasing nanotube radius. For intercalated hydrogen, the simulations predict a broadened Raman band with relatively little dependence on nanotube radius. The second application being considered is the usage of nanotubes to strengthen polymer composites. Molecular dynamics simulations are in progress to understand the load transfer mechanism between the polymer and the nanotube.