Journal
NANO LETTERS
Volume 22, Issue 23, Pages 9693-9699Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.2c03974
Keywords
Seebeck coefficient; thermopower; organometallic; molecular junction; metal alkynyl
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Funding
- NRF of Korea [NRF2019R1A2C2011003, NRF-2019R1A6A1A11044070, NRF2 0 2 1 M3F3A2A03017999, NRF 2019K2A9A2A08000151]
- POSCO TJ Park Doctoral Fellowship
- JSPS KAKENHI [21K05211]
- Murata Science Foundation
- Research Center for Computational Science, Okazaki, Japan [21-IMS-C071, 22-IMS-C071]
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This paper describes the thermoelectric properties of molecular junctions incorporating multinuclear ruthenium alkynyl complexes. High Seebeck coefficients and thermal stability were observed, providing important insights into the development of molecular-scale devices for efficient thermoregulation and heat-to-electricity conversion.
This paper describes the thermoelectric properties of molecular junctions incorporating multinuclear ruthenium alkynyl complexes that comprise Ru( dppe)(2) [dppe = 1,2bis(diphenylphosphino)ethane] fragments and diethylnyl aromatic bridging ligands with thioether anchors. Using the liquid metal technique, the Seebeck coefficient was examined as a function of metal nuclearity, oxidation state, and substituent on the organic ligand backbone. High Seebeck coefficients up to 73 mu V/K and appreciable thermal stability with thermovoltage up to similar to 3.3 mV at a heating temperature of 423 K were observed. An unusually high proximity of the highest occupied molecular orbital (HOMO) energy level to the Fermi level was revealed to give the remarkable thermoelectric performance as suggested by combined experiments and calculations. This work offers important insights into the development of molecular-scale devices for efficient thermoregulation and heat-to-electricity conversion.
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