Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2010-05-04
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
6 pages, 6 figures
Scientific paper
Using first-principles calculations we analyze the electronic transport properties of a recently proposed anthraquinone based electrochemical switch. Robust conductance on/off ratios of several orders of magnitude are observed due to destructive quantum interference present in the anthraquinone, but absent in the hydroquinone molecular bridge. A simple explanation of the interference effect is achieved by transforming the frontier molecular orbitals into localized molecular orbitals thereby obtaining a minimal tight-binding model describing the transport in the relevant energy range in terms of hopping via the localized orbitals. The topology of the tight-binding model, which is dictated by the symmetries of the molecular orbitals, determines the amount of quantum interference.
Markussen Troels
Schiøtz Jakob
Thygesen Kristian S.
No associations
LandOfFree
Electrochemical control of quantum interference in anthraquinone-based molecular switches does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Electrochemical control of quantum interference in anthraquinone-based molecular switches, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Electrochemical control of quantum interference in anthraquinone-based molecular switches will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-532261