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

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. Show more