Electronic Transport in B- and N-doped Fullerenes: BC$_{59}, $BC$_{60}$, NC$_{59 }$ and NC$_{60}$

The electron transport via boron and nitrogen doped fullerenes (i.e. BC$_{60}$, NC$_{60}$, BC$_{59}$ and NC$_{59})$ are studied using first principles methods coupled with non-equilibrium Green's Function formalism. The predicted conductivity for the doped fullerene is higher than that of the pristine fullerene. A substantial conduction is predicted for BC$_{59}$ at higher bias voltage of $>$1.0 V. The hybrid states near the Fermi region involving contact gold atoms appear to play an important role in determining the conductivity of these systems.