Electrical transmission of molecular bridges

F. Remacle*, R. D. Levine

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

39 Scopus citations

Abstract

Transmission of electrons through orbitals of molecules is discussed using high-level ab initio methods that allow an orbital interpretation. The transmission is computed for a molecule tethered between gold atoms. Strong coupling to the gold is achieved using a sulfur atom at each end of the molecule. σ-type orbitals can conduct as well as conjugated bridges provided that the orbitals have weights on the sulfur atoms. The current depends exponentially on the voltage applied to the molecule and this voltage can also shift the electronic density and further alter the transmission. The conductivity can also be modified by a gate voltage.

Original languageEnglish
Pages (from-to)537-543
Number of pages7
JournalChemical Physics Letters
Volume383
Issue number5-6
DOIs
StatePublished - 15 Jan 2004

Fingerprint

Dive into the research topics of 'Electrical transmission of molecular bridges'. Together they form a unique fingerprint.

Cite this