Journal of the American Chemical Society, Vol.136, No.31, 10890-10893, 2014
Fullerene Van der Waals Oligomers as Electron Traps
Density functional theory calculations indicate that van der Waals fullerene dimers and larger oligomers can form interstitial electron traps in which the electrons are even more strongly bound than in isolated fiillerene radical anions. The fullerenes behave like "super atoms", and the interstitial electron traps represent oneelectron intermolecular a-bonds. Spectroelectrochemical measurements on a bis-fullerene-substituted peptide provide experimental support. The proposed deep electron traps are relevant for all organic electronics applications in which non-covalently linked fullerenes in van der Waals contact with one another serve as n-type semiconductors.