Electronic and Thermoelectric Properties of Molecular Junctions Incorporating Organometallic Complexes: Implications for Thermoelectric Energy Conversion
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.
Mots clés
- Thermoelectric properties
- Seebeck coefficient
- Electron transport
- Density Functional Theory
- Green’s function
- Heat conductance
- Electronic conductance
- Organometallic molecular junction
- Scanning Thermal Microscopy
- Conductive Atomic Force Microscopy
- Mechanically controllable break junction
- Single molecule
- Self-assembled monolayer
Domaines
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