Single Molecule Conductance of Anthraquinone-Based Molecular Wire: Effect of the Anchoring Group

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F25%3A00603511" target="_blank" >RIV/61388955:_____/25:00603511 - isvavai.cz</a>

Výsledek na webu

<a href="https://hdl.handle.net/11104/0360841" target="_blank" >https://hdl.handle.net/11104/0360841</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/hlca.202400155" target="_blank" >10.1002/hlca.202400155</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Single Molecule Conductance of Anthraquinone-Based Molecular Wire: Effect of the Anchoring Group

Popis výsledku v původním jazyce

Functional molecular electronics require molecular design that provides integrity and stability. In this work, we explored two types of single molecule devices differing in anchoring to the conducting leads. Single molecule conductance was measured by STM break junction method and the molecular conductor was composed of the redox active anthraquinone center (switching element) containing either 4-pyridyl or p-phenylene thioacetate anchoring groups. The experimental results were supported by quantum chemical charge transport calculations. Molecular junctions containing 4-pyridyl anchors displayed two stable configurations with conductance values of 4.9 nS and 20 pS, respectively. Molecules anchored via p-phenylene thioacetate groups led to one main junction configuration with conductance of 0.1 nS. Junctions employing 4-pyridyl anchoring groups had higher junction formation probability, which in combination with lower conductance makes them better candidates for switching purposes.n

Název v anglickém jazyce

Single Molecule Conductance of Anthraquinone-Based Molecular Wire: Effect of the Anchoring Group

Popis výsledku anglicky

Functional molecular electronics require molecular design that provides integrity and stability. In this work, we explored two types of single molecule devices differing in anchoring to the conducting leads. Single molecule conductance was measured by STM break junction method and the molecular conductor was composed of the redox active anthraquinone center (switching element) containing either 4-pyridyl or p-phenylene thioacetate anchoring groups. The experimental results were supported by quantum chemical charge transport calculations. Molecular junctions containing 4-pyridyl anchors displayed two stable configurations with conductance values of 4.9 nS and 20 pS, respectively. Molecules anchored via p-phenylene thioacetate groups led to one main junction configuration with conductance of 0.1 nS. Junctions employing 4-pyridyl anchoring groups had higher junction formation probability, which in combination with lower conductance makes them better candidates for switching purposes.n

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

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

Helvetica Chimica Acta

ISSN

0018-019X

e-ISSN

1522-2675

Svazek periodika

108

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

11

Strana od-do

e202400155

Kód UT WoS článku

001388997500001

EID výsledku v databázi Scopus

2-s2.0-85214224180