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

Noori, Mohammed and Sadeghi, Hatef and Al-Galiby, Qusiy and Bailey, Steven William Dennis and Lambert, Colin John (2017) High cross-plane thermoelectric performance of metallo-porphyrin molecular junctions. Physical Chemistry Chemical Physics, 2017 (26). pp. 17356-17359. ISSN 1463-9076

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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.

Item Type:
Journal Article
Journal or Publication Title:
Physical Chemistry Chemical Physics
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/1600/1606
Subjects:
ID Code:
87019
Deposited By:
Deposited On:
12 Jul 2017 09:00
Refereed?:
Yes
Published?:
Published
Last Modified:
23 Sep 2020 03:36