Strong polarization-induced reduction of addition energies in single-molecule nanojunctions

Details Strong polarization-induced reduction of addition energies in single-molecule nanojunctions Strong polarization-induced reduction of addition energies in single-molecule nanojunctions

2008-09-10

arxiv.org/abs/0809.1774v1

Nano Letters 8, 3809 (2008)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

9 pages, 5 figures

Scientific paper

10.1021/nl8021708

We address polarization-induced renormalization of molecular levels in solid-state based single-molecule transistors and focus on an organic conjugate molecule where a surprisingly large reduction of the addition energy has been observed. We have developed a scheme that combines a self-consistent solution of a quantum chemical calculation with a realistic description of the screening environment. Our results indeed show a large reduction, and we explain this to be a consequence of both (a) a reduction of the electrostatic molecular charging energy and (b) polarization induced level shifts of the HOMO and LUMO levels. Finally, we calculate the charge stability diagram and explain at a qualitative level general features observed experimentally.

Affiliated with

Also associated with

No associations

Rating

Strong polarization-induced reduction of addition energies in single-molecule nanojunctions 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 Strong polarization-induced reduction of addition energies in single-molecule nanojunctions, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Strong polarization-induced reduction of addition energies in single-molecule nanojunctions will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-161446