Rights statement: This is the peer reviewed version of the following article: M. Famili, I. M. Grace, Q. Al‐Galiby, H. Sadeghi, C. J. Lambert, Adv. Funct. Mater. 2018, 28, 1703135. https://doi.org/10.1002/adfm.201703135 which has been published in final form at http://onlinelibrary.wiley.com/doi/10.1002/adfm.201703135/abstract This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
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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 - Toward High Thermoelectric Performance of Thiophene and Ethylenedioxythiophene (EDOT) Molecular Wires
AU - Famili, Marjan
AU - Grace, Iain M.
AU - Al-galiby, Qusiy
AU - Sadeghi, Hatef
AU - Lambert, Colin J.
N1 - This is the peer reviewed version of the following article: M. Famili, I. M. Grace, Q. Al‐Galiby, H. Sadeghi, C. J. Lambert, Adv. Funct. Mater. 2018, 28, 1703135. https://doi.org/10.1002/adfm.201703135 which has been published in final form at http://onlinelibrary.wiley.com/doi/10.1002/adfm.201703135/abstract This article may be used for non-commercial purposes in accordance With Wiley Terms and Conditions for self-archiving.
PY - 2018/4/11
Y1 - 2018/4/11
N2 - The design of thermoelectric materials for the efficient conversion of waste heat into electricity requires simultaneous tuning of their electrical and thermal conductance. A comparative theoretical study of electron and phonon transport in thiophene and ethylenedioxythiophene (EDOT) based molecular wires is performed. It is shown that modifying thiophene by substituting ethylenedioxy enhances the thermoelectric figure of merit ZT for molecules of the same length. Furthermore, it is demonstrated that the electrical conductance of EDOT-based wires decays more slowly with length than that of thiophene-based wires and that their thermal conductance is lower. The room-temperature ZT of undoped EDOT is found to be rather low. However, doping of EDOT by the electron acceptor tolunenesulfunate increases the Seebeck coefficient and electrical conductance, while decreasing the thermal conductance, leading to a thermoelectric figure of merit as high as ZT = 2.4.
AB - The design of thermoelectric materials for the efficient conversion of waste heat into electricity requires simultaneous tuning of their electrical and thermal conductance. A comparative theoretical study of electron and phonon transport in thiophene and ethylenedioxythiophene (EDOT) based molecular wires is performed. It is shown that modifying thiophene by substituting ethylenedioxy enhances the thermoelectric figure of merit ZT for molecules of the same length. Furthermore, it is demonstrated that the electrical conductance of EDOT-based wires decays more slowly with length than that of thiophene-based wires and that their thermal conductance is lower. The room-temperature ZT of undoped EDOT is found to be rather low. However, doping of EDOT by the electron acceptor tolunenesulfunate increases the Seebeck coefficient and electrical conductance, while decreasing the thermal conductance, leading to a thermoelectric figure of merit as high as ZT = 2.4.
KW - EDOT
KW - molecular wires
KW - thermoelectric figure of merit
KW - thermoelectricity
KW - thiophenes
KW - ZT
U2 - 10.1002/adfm.201703135
DO - 10.1002/adfm.201703135
M3 - Journal article
VL - 28
JO - Advanced Functional Materials
JF - Advanced Functional Materials
SN - 1616-301X
IS - 15
M1 - 1703135
ER -