Hydrogenation of Single-Wall Carbon Nanotubes Using Polyamine Reagents: Combined Experimental and Theoretical Study

Miller, Glen P. and Kintigh, Jeremy and Kim, Eunja and Weck, Philippe F. and Berber, Savas and Tománek, David. (2008) Hydrogenation of Single-Wall Carbon Nanotubes Using Polyamine Reagents: Combined Experimental and Theoretical Study. Journal of the American Chemical Society, 130 (7). pp. 2296-2303. ISSN 0002-7863

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Abstract

We combine experimental observations with ab initio calculations to study the reversible hydrogenation of single-wall carbon nanotubes using high boiling polyamines as hydrogenation reagents. Our calculations characterize the nature of the adsorption bond and identify preferential adsorption geometries at different coverages. We find the barrier for sigmatropic rearrangement of chemisorbed hydrogen atoms to be 1 eV, thus facilitating surface diffusion and formation of energetically favored, axially aligned adsorbate chains. Chemisorbed hydrogen modifies the structure and stability of nanotubes significantly and increases the inter-tube distance, thus explaining the improved dispersability in solvents like methanol, ethanol, chloroform, and benzene.

Item Type: Article
Additional Information: Reprinted with permission from "Hydrogenation of Single-Wall Carbon Nanotubes Using Polyamine Reagents: Combined Experimental and Theoretical Study", Miller G.P et al., J. Am. Chem. Soc., 2008, 130 (7), pp 2296–2303. Copyright 2008 American Chemical Society
InterNano Taxonomy: Nanomanufacturing Processes > Deposition of Nanostructured Films or Nanostructures > Adsorption
Nanoscale Objects and Nanostructured Materials > Nanotubes > Carbon nanotubes
Collections: Nanomanufacturing Research Collection
Depositing User: Moureen Kemei
Date Deposited: 12 May 2010 18:31
Last Modified: 12 May 2010 18:31
URI: http://eprints.internano.org/id/eprint/466

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