Electron-vibration effects on the thermoelectric efficiency of molecular junctions

C. A. Perroni, D. Ninno, and V. Cataudella
Phys. Rev. B 90, 125421 – Published 15 September 2014

Abstract

The thermoelectric properties of a molecular junction model, appropriate for large molecules such as fullerenes, are studied within a nonequilibrium adiabatic approach in the linear regime at room temperature. A self-consistent calculation is implemented for electron and phonon thermal conductance showing that both increase with the inclusion of the electron-vibration coupling. Moreover, we show that the deviations from the Wiedemann-Franz law are progressively reduced upon increasing the interaction between electronic and vibrational degrees of freedom. Consequently, the junction thermoelectric efficiency is substantially reduced by the electron-vibration coupling. Even so, we find that, for realistic parameters values, the thermoelectric figure of merit can still have peaks of the order of unity.

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  • Received 14 June 2014
  • Revised 3 September 2014

DOI:https://doi.org/10.1103/PhysRevB.90.125421

©2014 American Physical Society

Authors & Affiliations

C. A. Perroni1, D. Ninno1,2, and V. Cataudella1

  • 1CNR-SPIN and Dipartimento di Fisica, Universita' degli Studi di Napoli Federico II, Complesso Universitario Monte S. Angelo, Via Cintia, I-80126 Napoli, Italy
  • 2IMAST S.c.ar.l.-Technological District on Engineering of polymeric and composite Materials and Structures, Piazza Bovio 22, I-80133 Napoli, Italy

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Vol. 90, Iss. 12 — 15 September 2014

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