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High cross-plane thermoelectric performance of metallo-porphyrin molecular junctions

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Abstract

We investigated the thermoelectric properties of flat-stacked 5,15-diphenylporphyrins containing divalent metal ions Ni, Co, Cu or Zn, which are strongly coordinated with the nitrogens of pyridyl coated gold electrodes. Changing metal atom has little effect on the thermal conductance due to the phonons. The room-temperature Seebeck coefficients of these junctions are rather high, ranging from 90 μV K−1 for Cu, Ni and Zn-porphyrins to −16 μV K−1 for Co-porphyrin. These values could be further increased by lowering molecular energy levels relative to the DFT-predicted Fermi energy. In contrast, the phonon contribution to the thermal conductance of these junctions is rather insensitive to the choice of metal atom. The thermopower, thermal conductance and electrical conductance combined to yield the room-temperature values for the thermoelectric figure of merit ZT ranging from 1.6 for Cu porphyrin to ∼0.02 for Ni-porphyrin.

Graphical abstract: High cross-plane thermoelectric performance of metallo-porphyrin molecular junctions

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Publication details

The article was received on 06 Apr 2017, accepted on 19 Jun 2017 and first published on 19 Jun 2017


Article type: Paper
DOI: 10.1039/C7CP02229H
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
  • Open access: Creative Commons BY license
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    High cross-plane thermoelectric performance of metallo-porphyrin molecular junctions

    M. Noori, H. Sadeghi, Q. Al-Galiby, S. W. D. Bailey and C. J. Lambert, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP02229H

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