title: Fullerene van der Waals oligomers as electron traps.
abstract: 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 fullerene radical anions. The fullerenes behave like "super atoms", and the interstitial electron traps represent one-electron intermolecular σ-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.
authors.affiliation: Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Department Chemie und Pharmazie, Friedrich-Alexander-Universität Erlangen-Nürnberg , 91052 Erlangen, Germany.
authors.forename: Tatyana E
authors.initials: TE
authors.lastname: Shubina
authors.forename: Dmitry I
authors.initials: DI
authors.lastname: Sharapa
authors.forename: Christina
authors.initials: C
authors.lastname: Schubert
authors.forename: Dirk
authors.initials: D
authors.lastname: Zahn
authors.forename: Marcus
authors.initials: M
authors.lastname: Halik
authors.forename: Paul A
authors.initials: PA
authors.lastname: Keller
authors.forename: Stephen G
authors.initials: SG
authors.lastname: Pyne
authors.forename: Sreenu
authors.initials: S
authors.lastname: Jennepalli
authors.forename: Dirk M
authors.initials: DM
authors.lastname: Guldi
authors.forename: Timothy
authors.initials: T
authors.lastname: Clark