Contact transparency of nanotube-molecule-nanotube junctions.
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.
Ke
San-Huang
SH
Department of Chemistry, Duke University, Durham, NC 27708-0354, USA.
Baranger
Harold U
HU
Yang
Weitao
W