Journal of Nanotechnology / 2010 / Article / Tab 2

Review Article

Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes

Table 2

Binding energy and geometric data for transition metal-doped SWCNTs [110].

Dopant atom (X)Adsorption mode E a e l e c d(X−C)bq(X)c

NiExo0.01.905, 1.851, 1.8510.310
Endo1.6331.791, 1.847, 1.847−0.004

PdExo0.02.066, 2.009, 2.0090.195
Endo2.5521.937, 2.022, 2.022−0.104

aRelative electronic energy of stabilization (in eV).
bBond length (in Å) between X atom and adjacent C atoms.
cPartial charge on X.

We are committed to sharing findings related to COVID-19 as quickly as possible. We will be providing unlimited waivers of publication charges for accepted research articles as well as case reports and case series related to COVID-19. Review articles are excluded from this waiver policy. Sign up here as a reviewer to help fast-track new submissions.