Article Dans Une Revue ACS Applied Nano Materials Année : 2025

Electronic and Thermoelectric Properties of Molecular Junctions Incorporating Organometallic Complexes: Implications for Thermoelectric Energy Conversion

Elke Scheer
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Résumé

The electronic and thermoelectric properties of molecular junctions formed from iron and ruthenium metal-acetylide were studied using complementary experimental techniques and quantum chemical simulations. We performed physical characterizations of single-molecule and self-assembled monolayer junctions of the same molecules that allowed meaningful comparisons between the Ru and Fe adducts. In the case of the Fe-containing junctions, two distinct oxidation states are present. These junctions exhibit one of the highest Seebeck coefficients (S ∼130 μV/K) reported to date for similar systems paired with broad electric conductance distribution and limited thermal conductance. As a result, the experimental thermoelectric figure of merit ZT for Fe-containing junctions reaches up to 0.4 for junctions with relatively high conductance. This is one of the highest ZT values reported for molecular systems at room temperature.

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hal-05015058 , version 1 (26-06-2025)

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Joseane Santos Almeida, Sergio Gonzalez Casal, Hassan Al Sabea, Valentin Barth, Gautam Micra, et al.. Electronic and Thermoelectric Properties of Molecular Junctions Incorporating Organometallic Complexes: Implications for Thermoelectric Energy Conversion. ACS Applied Nano Materials, 2025, 8, pp.14261-14280. ⟨10.1021/acsanm.5c02362⟩. ⟨hal-05015058⟩
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