Premium
Stability of narrow zigzag carbon nanotubes
Author(s) -
Cabria I.,
Mintmire J. W.,
White C. T.
Publication year - 2002
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.10369
Subject(s) - zigzag , carbon nanotube , graphene , radius , carbon fibers , materials science , nanotechnology , stability (learning theory) , molecular physics , computational chemistry , chemical physics , chemistry , composite material , composite number , geometry , mathematics , machine learning , computer science , computer security
First principles calculations of the electronic structure and total energy of narrow zigzag carbon nanotubes and their corresponding flat graphene strips have been carried out to assess the relative stability of the tube form. The results indicate that the smallest energetically stable carbon nanotube has a radius of about 0.2 nm. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2003