Thioether-Linked Single-Molecule Junctions with Coinage Metal Contacts

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Thioether-Linked Single-Molecule Junctions with Coinage Metal Contacts

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Thioether-Linked Single-Molecule Junctions with Coinage Metal Contacts

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10303 - Particles and field physics

Projekt

<a href="/cs/project/GA23-05891S" target="_blank" >GA23-05891S: Návrh molekulárních obvodů ze simulací a strojového učení</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Nano Letters

ISSN

1530-6984

e-ISSN

1530-6992

Svazek periodika

25

Číslo periodika v rámci svazku

22

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

9125-9131

Kód UT WoS článku

001495107000001

EID výsledku v databázi Scopus

2-s2.0-105005845190