Giant Thermoelectric Effect from Transmission Supernodes
J.P. Bergfield, M. Solis, C.A. Stafford
TL;DR
This paper predicts a significant quantum enhancement of thermoelectric effects near transmission supernodes in nanoscale junctions, with detailed analysis of specific molecular systems and thermodynamic efficiency calculations.
Contribution
It introduces the concept of transmission supernodes causing giant thermoelectric effects and provides detailed theoretical predictions for molecular junctions.
Findings
Enormous thermoelectric enhancement near supernodes
Detailed analysis of biphenyl and PPE junctions
Thermodynamic efficiency calculations for molecular heat engines
Abstract
We predict an enormous order-dependent quantum enhancement of thermoelectric effects in the vicinity of a higher-order `supernode' in the transmission spectrum of a nanoscale junction. Single-molecule junctions based on 3,3'-biphenyl and polyphenyl ether (PPE) are investigated in detail. The nonequilibrium thermodynamic efficiency and power output of a thermoelectric heat engine based on a 1,3-benzene junction are calculated using many-body theory, and compared to the predictions of the figure-of-merit ZT.
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