Fullerene based devices for molecular electronics

We have investigated the electronic properties of a C-60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment utilizing a density functional theory-based LCAO approach combined with the Landauer formalism. Owing to low-dimensionality, electron transport is very sensitive to the strength and geometry of inter-facial bonds. Molecular contact between interfacial atoms and electrodes gives rise to a complex conductance dependence on the electron energy exhibiting spectral features of both the molecule and electrodes. These are attributed to the electronic structure of the C-60 molecule and to the local density of states of the leads, respectively. (C) 2002 Elsevier Science B.V. All rights reserved.