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Thermopower in underpotential deposition-based molecular junctions
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He, Peng, Daaoub, Abdalghani H. S., Sangtarash, Sara, Sadeghi, Hatef and Yoon, Hyo Jae (2024) Thermopower in underpotential deposition-based molecular junctions. Nano Letters, 24 (6). pp. 1988-1995. doi:10.1021/acs.nanolett.3c04438 ISSN 1530-6984.
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he-et-al-2024-thermopower-in-underpotential-deposition-based-molecular-junctions.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons Attribution 4.0. Download (3230Kb) | Preview |
Official URL: http://doi.org/10.1021/acs.nanolett.3c04438
Abstract
Underpotential deposition (UPD) is an intriguing means for tailoring the interfacial electronic structure of an adsorbate at a substrate. Here we investigate the impact of UPD on thermoelectricity occurring in molecular tunnel junctions based on alkyl self-assembled monolayers (SAMs). We observed noticeable enhancements in the Seebeck coefficient of alkanoic acid and alkanethiol monolayers, by up to 2- and 4-fold, respectively, upon replacement of a conventional Au electrode with an analogous bimetallic electrode, Cu UPD on Au. Quantum transport calculations indicated that the increased Seebeck coefficients are due to the UPD-induced changes in the shape or position of transmission resonances corresponding to gateway orbitals, which depend on the choice of the anchor group. Our work unveils UPD as a potent means for altering the shape of the tunneling energy barrier at the molecule-electrode contact of alkyl SAM-based junctions and hence enhancing thermoelectric performance.
Item Type: | Journal Article | ||||||||
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Divisions: | Faculty of Science, Engineering and Medicine > Engineering > Engineering | ||||||||
SWORD Depositor: | Library Publications Router | ||||||||
Journal or Publication Title: | Nano Letters | ||||||||
Publisher: | American Chemical Society | ||||||||
ISSN: | 1530-6984 | ||||||||
Official Date: | 14 February 2024 | ||||||||
Dates: |
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Volume: | 24 | ||||||||
Number: | 6 | ||||||||
Page Range: | pp. 1988-1995 | ||||||||
DOI: | 10.1021/acs.nanolett.3c04438 | ||||||||
Status: | Peer Reviewed | ||||||||
Publication Status: | Published | ||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||
Date of first compliant deposit: | 11 March 2024 | ||||||||
Date of first compliant Open Access: | 11 March 2024 |
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