Page 53 - Carbon Nanotubes

Table I. Relaxation energy per carbon (eV) obtained by I""l""l""l""I
geometry optimization of nanotubes relative to extrapolated
value for graphene
1.05 - -
Unrelaxed Relaxed
Radius energy energy
Nanotube (nm) (ev) (eV) h
5 1- -
t12SI 0.6050 0.067 0.064 a
tm21 0.5630 0.071 0.068 5
11~41 0.5370 0.076 0.073 'CI
0.130
VSl 0.4170 0.133 0.137 ' -
[921 0.4060 0.140
I431 0.2460 0.366 0.354

0.9 - -
tube has been directly constructed from a conformal
1 1 1 ~ / 1 1 1 1 1 1 1 1 1 1 1 , , , , 1
mapping of graphene with a carbon-carbon nearest- 0.935 0.94 0.945 0.95 0.955