Thioether-Linked Single-Molecule Junctions with Coinage Metal Contacts
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F25%3A00636211" target="_blank" >RIV/68378271:_____/25:00636211 - isvavai.cz</a>
Result on the web
<a href="https://hdl.handle.net/11104/0367923" target="_blank" >https://hdl.handle.net/11104/0367923</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.nanolett.5c01892" target="_blank" >10.1021/acs.nanolett.5c01892</a>
Alternative languages
Result language
angličtina
Original language name
Thioether-Linked Single-Molecule Junctions with Coinage Metal Contacts
Original language description
The influence of changing electrode material on the electrical and mechanical properties of metal–molecule–metal junctions is relatively poorly understood, yet an improved understanding of these interfaces remains critical to the implementation of such systems as active elements in real-world circuits. Accordingly, here we study single-molecule junctions comprising thioether-linked alkane and oligophenyl wires formed under an inert atmosphere using gold, silver, and copper electrodes. Break junction experiments and computational simulations reveal that the conductance of junctions with different contacts typically decreases in the order gold > silver ≥ copper. Such trends cannot be explained solely from the differences in work function for these metals, which are modulated in junctions by the interface dipole. Transport calculations also expose the influence of electronic coupling to the electrodes, which is strongest for gold. Together, this study charts a coherent path toward a more complete understanding of the role of the electrode in single-molecule devices.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10303 - Particles and field physics
Result continuities
Project
<a href="/en/project/GA23-05891S" target="_blank" >GA23-05891S: Design of molecular circuits from simulations and machine learning</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Nano Letters
ISSN
1530-6984
e-ISSN
1530-6992
Volume of the periodical
25
Issue of the periodical within the volume
22
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
9125-9131
UT code for WoS article
001495107000001
EID of the result in the Scopus database
2-s2.0-105005845190