Gate-induced intramolecular charge transfer in a tunnel junction: A nonequilibrium analysis

Adva Baratz, Michael Galperin*, Roi Baer

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

19 Scopus citations

Abstract

A recently introduced molecular junction, for which the gate acts as an on/off switch for intrajunction electron transfer between localized donor and acceptor sites is studied. We demonstrate that a Landauer + density functional (DFT) approach is fundamentally flawed for describing the electronic conductance in this system. By comparing the Landauer + DFT conductance to that predicted by the Redfield quantum master equations, we point out several effects that cannot be explained by the former approach. The molecular junction is unique in the small number of conductance channels and their sharp response to the gate.

Original languageAmerican English
Pages (from-to)10257-10263
Number of pages7
JournalJournal of Physical Chemistry C
Volume117
Issue number20
DOIs
StatePublished - 23 May 2013

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