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Stretch Evolution of Electronic Coupling of the Thiophenyl Anchoring Group with Gold in Mechanically Controllable Break Junctions

[Image: see text] The current–voltage characteristics of a single-molecule junction are determined by the electronic coupling Γ between the electronic states of the electrodes and the dominant transport channel(s) of the molecule. Γ is profoundly affected by the choice of the anchoring groups and th...

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Autores principales: Lokamani, Mani, Kilibarda, Filip, Günther, Florian, Kelling, Jeffrey, Strobel, Alexander, Zahn, Peter, Juckeland, Guido, Gothelf, Kurt V., Scheer, Elke, Gemming, Sibylle, Erbe, Artur
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10291638/
https://www.ncbi.nlm.nih.gov/pubmed/37318265
http://dx.doi.org/10.1021/acs.jpclett.3c00370
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author Lokamani, Mani
Kilibarda, Filip
Günther, Florian
Kelling, Jeffrey
Strobel, Alexander
Zahn, Peter
Juckeland, Guido
Gothelf, Kurt V.
Scheer, Elke
Gemming, Sibylle
Erbe, Artur
author_facet Lokamani, Mani
Kilibarda, Filip
Günther, Florian
Kelling, Jeffrey
Strobel, Alexander
Zahn, Peter
Juckeland, Guido
Gothelf, Kurt V.
Scheer, Elke
Gemming, Sibylle
Erbe, Artur
author_sort Lokamani, Mani
collection PubMed
description [Image: see text] The current–voltage characteristics of a single-molecule junction are determined by the electronic coupling Γ between the electronic states of the electrodes and the dominant transport channel(s) of the molecule. Γ is profoundly affected by the choice of the anchoring groups and their binding positions on the tip facets and the tip–tip separation. In this work, mechanically controllable break junction experiments on the N,N′-bis(5-ethynylbenzenethiol-salicylidene)ethylenediamine are presented, in particular, the stretch evolution of Γ with increasing tip–tip separation. The stretch evolution of Γ is characterized by recurring local maxima and can be related to the deformation of the molecule and sliding of the anchoring groups above the tip facets and along the tip edges. A dynamic simulation approach is implemented to model the stretch evolution of Γ, which captures the experimentally observed features remarkably well and establishes a link to the microscopic structure of the single-molecule junction.
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spelling pubmed-102916382023-06-27 Stretch Evolution of Electronic Coupling of the Thiophenyl Anchoring Group with Gold in Mechanically Controllable Break Junctions Lokamani, Mani Kilibarda, Filip Günther, Florian Kelling, Jeffrey Strobel, Alexander Zahn, Peter Juckeland, Guido Gothelf, Kurt V. Scheer, Elke Gemming, Sibylle Erbe, Artur J Phys Chem Lett [Image: see text] The current–voltage characteristics of a single-molecule junction are determined by the electronic coupling Γ between the electronic states of the electrodes and the dominant transport channel(s) of the molecule. Γ is profoundly affected by the choice of the anchoring groups and their binding positions on the tip facets and the tip–tip separation. In this work, mechanically controllable break junction experiments on the N,N′-bis(5-ethynylbenzenethiol-salicylidene)ethylenediamine are presented, in particular, the stretch evolution of Γ with increasing tip–tip separation. The stretch evolution of Γ is characterized by recurring local maxima and can be related to the deformation of the molecule and sliding of the anchoring groups above the tip facets and along the tip edges. A dynamic simulation approach is implemented to model the stretch evolution of Γ, which captures the experimentally observed features remarkably well and establishes a link to the microscopic structure of the single-molecule junction. American Chemical Society 2023-06-15 /pmc/articles/PMC10291638/ /pubmed/37318265 http://dx.doi.org/10.1021/acs.jpclett.3c00370 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Lokamani, Mani
Kilibarda, Filip
Günther, Florian
Kelling, Jeffrey
Strobel, Alexander
Zahn, Peter
Juckeland, Guido
Gothelf, Kurt V.
Scheer, Elke
Gemming, Sibylle
Erbe, Artur
Stretch Evolution of Electronic Coupling of the Thiophenyl Anchoring Group with Gold in Mechanically Controllable Break Junctions
title Stretch Evolution of Electronic Coupling of the Thiophenyl Anchoring Group with Gold in Mechanically Controllable Break Junctions
title_full Stretch Evolution of Electronic Coupling of the Thiophenyl Anchoring Group with Gold in Mechanically Controllable Break Junctions
title_fullStr Stretch Evolution of Electronic Coupling of the Thiophenyl Anchoring Group with Gold in Mechanically Controllable Break Junctions
title_full_unstemmed Stretch Evolution of Electronic Coupling of the Thiophenyl Anchoring Group with Gold in Mechanically Controllable Break Junctions
title_short Stretch Evolution of Electronic Coupling of the Thiophenyl Anchoring Group with Gold in Mechanically Controllable Break Junctions
title_sort stretch evolution of electronic coupling of the thiophenyl anchoring group with gold in mechanically controllable break junctions
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10291638/
https://www.ncbi.nlm.nih.gov/pubmed/37318265
http://dx.doi.org/10.1021/acs.jpclett.3c00370
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