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High Seebeck Coefficient Achieved by Multinuclear Organometallic Molecular Junctions
Nano Letters ( IF 9.6 ) Pub Date : 2022-11-28 , DOI: 10.1021/acs.nanolett.2c03974 Sohyun Park 1 , Jiung Jang 1 , Yuya Tanaka 2 , Hyo Jae Yoon 1
Nano Letters ( IF 9.6 ) Pub Date : 2022-11-28 , DOI: 10.1021/acs.nanolett.2c03974 Sohyun Park 1 , Jiung Jang 1 , Yuya Tanaka 2 , Hyo Jae Yoon 1
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This paper describes the thermoelectric properties of molecular junctions incorporating multinuclear ruthenium alkynyl complexes that comprise Ru(dppe)2 [dppe = 1,2-bis(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 μV/K and appreciable thermal stability with thermovoltage up 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.
中文翻译：
多核有机金属分子结实现高塞贝克系数
本文介绍了包含 Ru(dppe) 2的多核钌炔基络合物的分子结的热电特性[dppe = 1,2-bis(diphenylphosphino)ethane] fragments and diethylnyl aromatic bridging ligands with thioether anchors。使用液态金属技术，将塞贝克系数作为金属核度、氧化态和有机配体主链上取代基的函数进行检查。观察到高达 73 μV/K 的高塞贝克系数和在 423 K 的加热温度下热电压高达 ~3.3 mV 的可观热稳定性。揭示了最高占据分子轨道 (HOMO) 能级与费米能级的异常高度接近，以提供显着的热电性能，如联合实验和计算所表明的那样。这项工作为开发用于高效温度调节和热电转换的分子级设备提供了重要见解。
更新日期：2022-11-28
中文翻译：
多核有机金属分子结实现高塞贝克系数
本文介绍了包含 Ru(dppe) 2的多核钌炔基络合物的分子结的热电特性[dppe = 1,2-bis(diphenylphosphino)ethane] fragments and diethylnyl aromatic bridging ligands with thioether anchors。使用液态金属技术，将塞贝克系数作为金属核度、氧化态和有机配体主链上取代基的函数进行检查。观察到高达 73 μV/K 的高塞贝克系数和在 423 K 的加热温度下热电压高达 ~3.3 mV 的可观热稳定性。揭示了最高占据分子轨道 (HOMO) 能级与费米能级的异常高度接近，以提供显着的热电性能，如联合实验和计算所表明的那样。这项工作为开发用于高效温度调节和热电转换的分子级设备提供了重要见解。
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