| Literature DB >> 17930697 |
San-Huang Ke1, Harold U Baranger, Weitao Yang.
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.Entities:
Year: 2007 PMID: 17930697 DOI: 10.1103/PhysRevLett.99.146802
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161