Effect of the electronic dimensionality of electrodes on the current-voltage characteristics of single molecular devices

• The electrodes can be constructed by different dimensionality of electronic systems in energy representation when the current through the molecular junction is measured. Basing on the elastic scattering Green function theory, we have developed the theoretical methods for studying the electronic transport properties of molecular junctions and paid attention to the influence of the dimensionality of electrodes. The alpha, alpha'-xylyl dithiol molecule is taken as an example and its current-voltage characteristics have been investigated for electrodes with different-dimension electronic systems. The numerical results show that dimensionality of metal contacts has strong effect on the current-voltage characteristics of molecular junction, in particular the shape of the conductance curves.

Nyckelord

dimensionality of electrodes

current-voltage curves

molecular electronics

transport-properties

carbon nanotube

conductance

wires

1st-principles

resistance

formalism

junctions

model

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)