Phase stability of nanocarbon in one dimension: Nanotubes versus diamond nanowires

A. S. Barnard*, I. K. Snook

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

54 Citations (Scopus)

Abstract

The relative phase stability of 1D carbon nanostructures was discussed using a heat of formation model. It was found that all nanowires and nanotube structures were relaxed using density functional theory (DFT). It was assumed that the strain energy of a nanotube contained only two in-plane elastic constants. Analysis shows that the carbon nanotubes represented the most energetically preferred form for fine 1D carbon nanostructures and the diamond nanowires occupied a 'window' of stability.

Original languageEnglish
Pages (from-to)3817-3821
Number of pages5
JournalJournal of Chemical Physics
Volume120
Issue number8
DOIs
Publication statusPublished - 22 Feb 2004
Externally publishedYes

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