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 language | English |
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Pages (from-to) | 3817-3821 |
Number of pages | 5 |
Journal | Journal of Chemical Physics |
Volume | 120 |
Issue number | 8 |
DOIs | |
Publication status | Published - 22 Feb 2004 |
Externally published | Yes |