Journal
PHYSICAL REVIEW B
Volume 71, Issue 16, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.71.165316
Keywords
-
Ask authors/readers for more resources
We theoretically study the electronic transport in the monolayer of dithiolated phenylene vinylene oligomeres coupled to the (111) surfaces of gold electrodes. We use nonequilibrium Green's functions and density-functional theory implemented in the TranSIESTA package to obtain a full ab initio self-consistent description of the transport current through the molecular nanostructure with different electrochemical bias potentials. The calculated current-voltage characteristics of the systems for the same contact geometry have shown a systematic decrease of the conductivity with the increased length of the molecules. We analyze the results in terms of transmission eigenchannels and find that besides the delocalization of molecular orbitals the distance between gold electrodes also determines the transport properties.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available