Thermoelectric properties of molecular nanostructures

Details Thermoelectric properties of molecular nanostructures Thermoelectric properties of molecular nanostructures

2011-09-02

arxiv.org/abs/1109.0365v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Scientific paper

We use the concept of resonant tunneling to calculate the thermopower of molecular nanosystems. It turns out that the sign of the thermovoltage under resonant tunneling conditions depends sensitively on the participating molecular orbital, and one finds a sign change when the transport channel switches from the highest occupied molecular orbital to the lowest unoccupied molecular orbital. Comparing our results to recent experimental data obtained for a BDT molecule contacted with an STM tip, we observe good agreement.

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