Interaction of valine and valine radicals with single-walled carbon nanotube (5, 0)

M. Rajarajeswari, K. Iyakutti, Y. Kawazoe

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)


We have investigated the adsorption of hydrophobic amino acid valine/valine radicals with carbon nanotube (5, 0) using density functional theory. Non-covalent interaction of valine with the nanotube exhibits differential binding strength with respect to the functional group of valine present close to the nanotube surface and it has enhanced the conductivity of the tube. Covalent interaction of valine radicals with the CNT introduced local sp3 hybridization at the adsorption site. In some of the cases nitrogen atom of the valine radical has broken the C-C bond and introduces a seven member ring in the adsorption site to retain the sp2 bonding network.

Original languageEnglish
Pages (from-to)299-303
Number of pages5
JournalChemical Physics Letters
Issue number4-6
Publication statusPublished - 2011 Aug 5

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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