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Phys. Rev. Lett. 99, 146802 (2007) [4 pages]

Contact Transparency of Nanotube-Molecule-Nanotube Junctions

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San-Huang Ke1, Harold U. Baranger2, and Weitao Yang1
1Department of Chemistry, Duke University, Durham, North Carolina 27708-0354, USA
2Department of Physics, Duke University, Durham, North Carolina 27708-0305, USA

Received 21 May 2007; published 2 October 2007

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.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.99.146802
DOI:
10.1103/PhysRevLett.99.146802
PACS:
73.63.Fg, 73.63.Rt, 85.65.+h