Experimental Gibbs Free Energy Considerations in the Nucleation and Growth of Single-Walled Carbon Nanotubes

Larry M. Wagg, G. Louis Hornyak, Leonid Grigorian, Anne C. Dillon, Kim M. Jones, Jeffrey Blackburn, Philip A. Parilla, Michael J. Heben

Research output: Contribution to journalArticlepeer-review

19 Scopus Citations

Abstract

Gas feed composition and reaction temperature were varied to identify the thermodynamic threshold conditions for the nucleation and growth of SWNT from methane on supported Fe/Mo catalyst. These reaction conditions closely approximate the pseudoequilibrium conditions that lead to the nucleation and growth of SWNT. These measurements also serve to determine an upper limit of the Gibbs free energy of formation for SWNT. The Gibbs free energy of formation relative to graphite is in good agreement with literature values predicted from simulations for SWNT nuclei containing approximately 80 atoms, while considerably larger than that predicted for bulk (5,5) SWNT. Our estimate over the range 700 to 1000 °C of 16.1 to 13.9 kJ mol -1 falls between the results of these simulations and literature values for diamond.

Original languageAmerican English
Pages (from-to)10435-10440
Number of pages6
JournalJournal of Physical Chemistry B
Volume109
Issue number20
DOIs
StatePublished - 2005

NREL Publication Number

  • NREL/JA-590-38427

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