Oxygen adsorption on graphite and nanotubes

P. Giannozzi, Roberto Car, G. Scoles

Research output: Contribution to journalArticle

239 Scopus citations

Abstract

Calculations were made of the behavior of O2 molecules interacting with perfect nanotubes. It was indicated that an O2 molecule in the triplet state was only physisorbed on a nanotube or a graphene sheet, either perfect or with a Stone-Wales effect. Thus, no evidence that triplet O2 absorbed at the walls of single-wall nanotubes (SWNTs) can affect their transport properties in a way that could explain the experimental observations.

Original languageEnglish (US)
Pages (from-to)1003-1006
Number of pages4
JournalJournal of Chemical Physics
Volume118
Issue number3
DOIs
StatePublished - Jan 15 2003

All Science Journal Classification (ASJC) codes

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

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