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 |
|---|---|
| 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 |
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