Phase stability of nanocarbon in one dimesion: nanotubes versus diamond nanowires

Journal article

Since their discovery in 1990, the study of sp² bonded carbon nanotubes has grown into a field of research in it’s own right; however the development of the sp³ analog, diamond nanowires, has been slow. A number of theoretical models have been proposed to compare the relative stability of diamond and graphite at the nanoscale; and more recently, to compare nanodiamonds and fullerenes. Presented here is a study of the phase stability of nanocarbon in one-dimension. The structural energies of carbon nanotubes and diamond nanowires have been calculated using density functional theory within the generalized gradient approximation, and used to determine the atomic heat of formation as a function of size.

Authors: Barnard, A; Snook, I

• Publication status: Published
• Peer review status: Peer reviewed
• Publisher: American Institute of Physics
• Journal: Journal of Chemical Physics
• Volume: 120
• Issue: 8
• Pages: 3817 - 3821
• Publication date: 2004-02-01
• Edition: Publisher's version
• DOI: 10.1063/1.1643354
• ISSN: 0021-9606
• Language: English
• Keywords: phase stability; nanotubes; carbon nanostructures; diamond nanowires
• Subjects: Materials Sciences