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High-performance thermoelectricity in edge-over-edge zinc-porphyrin molecular wires

Research output: Contribution to journalJournal article

Published
<mark>Journal publication date</mark>11/04/2017
<mark>Journal</mark>Nanoscale
Issue number17
Volume9
Number of pages6
Pages (from-to)5299-5304
Publication statusPublished
Early online date31/03/17
Original languageEnglish

Abstract

If high efficiency organic thermoelectric materials could be identified, then these would open the way to a range of energy harvesting technologies and Peltier coolers using flexible and transparent thin-film materials. We have compared the thermoelectric properties of three zinc porphyrin (ZnP) dimers and a ZnP monomer and found that the "edge-over-edge" dimer formed from stacked ZnP rings possesses a high electrical conductance, negligible phonon thermal conductance and a high Seebeck coefficient of the order of 300 μV K(-1). These combine to yield a predicted room-temperature figure of merit of ZT ≈ 4, which is the highest room-temperature ZT ever reported for a single organic molecule. This high value of ZT is a consequence of the low phonon thermal conductance arising from the stacked nature of the porphyrin rings, which hinders phonon transport through the edge-over-edge molecule and enhances the Seebeck coefficient.

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© Royal Society of Chemistry 2017