title: Contact transparency of nanotube-molecule-nanotube junctions.
abstract: The transparency of contacts between conjugated molecules and metallic single-walled carbon nanotubes is investigated using a single-particle Green's function method which combines a Landauer approach with ab initio density functional theory. We find that the overall conjugation required for good contact transparency is broken by connecting through a six-member ring on the tube. Full conjugation achieved by an all-carbon contact through a five-member ring leads to near perfect contact transparency for different conjugated molecular bridges.
authors.affiliation: Department of Chemistry, Duke University, Durham, NC 27708-0354, USA.
authors.forename: San-Huang
authors.initials: SH
authors.lastname: Ke
authors.forename: Harold U
authors.initials: HU
authors.lastname: Baranger
authors.forename: Weitao
authors.initials: W
authors.lastname: Yang