Controlling cross section of carbon nanotubes via selective hydrogenation

Guangfen Wu, Jinlan Wang, Xiao Cheng Zeng, Hong Hu, Feng Ding

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We systematically studied effects of selective hydrogenation of single-walled carbon nanotube (SWNT) on the shape of tube cross section based on a mechanical relaxation model and ab initio calculations. We found that fully hydrogenated SWNTs (FH-SWNTs) are energetically more favorable than partially hydrogenated ones. We uncovered a new channel for the strain relaxation at the nanoscale, in contrast to the known plasticity or buckling channel. We showed that the curvature strain energy of a cylindrical FH-SWNT can be significantly relieved by flipping a few rows of H atoms from outside to inside of the tube. We conclude that selective hydrogenation of SWNTs not only can be an effective way to achieve highly stable configurations of FH-SWNTs but also can be used to control the shape of tube cross section (triangle, square, etc.) for nanomechanic applications.

Original languageEnglish (US)
Pages (from-to)11753-11757
Number of pages5
JournalJournal of Physical Chemistry C
Volume114
Issue number27
DOIs
StatePublished - Jul 15 2010

Fingerprint

Carbon Nanotubes
Hydrogenation
hydrogenation
Carbon nanotubes
Nanomechanics
carbon nanotubes
tubes
Anelastic relaxation
Strain relaxation
cross sections
Single-walled carbon nanotubes (SWCN)
Strain energy
Buckling
Plasticity
buckling
plastic properties
triangles
Atoms
curvature
configurations

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

Cite this

Controlling cross section of carbon nanotubes via selective hydrogenation. / Wu, Guangfen; Wang, Jinlan; Zeng, Xiao Cheng; Hu, Hong; Ding, Feng.

In: Journal of Physical Chemistry C, Vol. 114, No. 27, 15.07.2010, p. 11753-11757.

Research output: Contribution to journalArticle

Wu, Guangfen ; Wang, Jinlan ; Zeng, Xiao Cheng ; Hu, Hong ; Ding, Feng. / Controlling cross section of carbon nanotubes via selective hydrogenation. In: Journal of Physical Chemistry C. 2010 ; Vol. 114, No. 27. pp. 11753-11757.
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