2000/11/29 by M. Mercedes Calbi, Flavio Toigo, Calbi, M. Mercedes +3
Engineering · Materials Science · Physics and Astronomy · #Carbon Nanotubes in Composites #Fuel Cells and Related Materials #Nanopore and Nanochannel Transport Studies #cond-mat.soft
paper · pdf · doi:10.48550/arxiv.cond-mat/0011509
4 pages
arxiv created 2000/11/29 · arxiv updated 2009/11/30
A study is presented of the effects of gas (especially H2) absorption within the interstitial channels of a bundle of carbon nanotubes. The ground state of the system is determined by minimizing the total energy, which includes the molecules' interaction with the tubes, the inter-tube interaction, and the molecules' mutual interaction (which is screened by the tubes). The consequences of swelling include a significant increase in the gas uptake and a 3 per cent increase in the tubes' breathing mode frecuency.