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Dilation-induced phases of gases absorbed within a bundle of carbon nanotubes

M. Mercedes Calbi·Flavio Toigo·Milton W. Cole
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Abstract

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.

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M. Mercedes Calbi, Flavio Toigo, Milton W. Cole. 2000-11-29. Dilation-induced phases of gases absorbed within a bundle of carbon nanotubes. https://arxiv.org/abs/cond-mat/0011509

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