First-principles study of electron-conduction properties of C60 bridges

The electron-conduction properties of fullerene-based nanostructures suspended between electrodes are examined by first-principles calculations based on the density functional theory. The electron conductivity of the C60-dimer bridge is low owing to the constraint of the junction of the molecules. When the fullerenes are doped electrons by being inserted Li atoms into the cages, the unoccupied state around the junction is filled and the conductivity can be significantly improved.