Final published version
Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - High cross-plane thermoelectric performance of metallo-porphyrin molecular junctions
AU - Noori, Mohammed
AU - Sadeghi, Hatef
AU - Al-Galiby, Qusiy
AU - Bailey, Steven William Dennis
AU - Lambert, Colin John
PY - 2017/7/14
Y1 - 2017/7/14
N2 - 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.
AB - 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.
U2 - 10.13039/501100000266
DO - 10.13039/501100000266
M3 - Journal article
VL - 2017
SP - 17356
EP - 17359
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 26
ER -