Carbon nanotube adsorbed on hydrogenated Si(0 0 1) surfaces

R. H. Miwa, W. Orellana, A. Fazzio

Research output: Contribution to journalConference articlepeer-review

7 Citations (Scopus)


The structural and electronic properties of a metallic single-walled carbon nanotube (CNT), adsorbed on hydrogenated Si(0 0 1) surfaces, have been investigated by first-principles calculations. We find that the electronic properties of the adsorbed CNT can be ruled by the H concentration along the CNT-H/Si(0 0 1) contact region. (i) On the fully hydrogenated Si(0 0 1), the CNT is physisorbed, preserving almost unchanged its metallic character. (ii) Removing half the H atoms along the adsorption site, we find an enhancement on the metallicity of the adsorbed CNT. (iii) When all the H atoms along the adsorption site are removed, the adsorbed CNT becomes semiconducting, exhibiting an energy gap. These results suggest that metallic CNTs adsorbed on H/Si(0 0 1) could be transformed into metal-semiconductor junctions by grading the H concentration along the CNT-surface interface.

Original languageEnglish
Pages (from-to)124-128
Number of pages5
JournalApplied Surface Science
Issue number1-4
Publication statusPublished - 15 May 2005
Event12th International Conference on Solid Films and Surfaces - Hammatsu, Japan
Duration: 21 Jun 200425 Jun 2004


  • Ab-initio calculations
  • Carbon nanotube
  • Silicon surface

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Physics and Astronomy(all)
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films


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