Title of article :
Does tubular structure of carbon form only from graphine sheet?
Author/Authors :
?akir Erkoç، نويسنده ,
Issue Information :
دوهفته نامه با شماره پیاپی سال 2004
Abstract :
The structural and electronic properties of carbon nanotubes constructed from non-graphine sheet have been investigated qualitatively by performing semi-empirical self-consistent-field molecular orbital calculations at the level of AM1 method within the RHF formulation. It has been found that these structures are stable and endothermic. From the point of view of electronic properties these structures seem to be nonconductive; their frontier molecular orbital energy differences are large, in the order of 10 eV, these new type of carbon nanotubes seem to be good insulators.
Keywords :
SCF-MO calculation , Carbon non-graphine sheet , AM1 method , Carbon nanotubes
Journal title :
Physica E Low-dimensional Systems and Nanostructures
Journal title :
Physica E Low-dimensional Systems and Nanostructures