Cooperative self-assembly of dimer junctions driven by π stacking leads to conductance enhancement

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F23%3A00574991" target="_blank" >RIV/68378271:_____/23:00574991 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1021/acs.nanolett.3c01540" target="_blank" >https://doi.org/10.1021/acs.nanolett.3c01540</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.nanolett.3c01540" target="_blank" >10.1021/acs.nanolett.3c01540</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Cooperative self-assembly of dimer junctions driven by π stacking leads to conductance enhancement

Popis výsledku v původním jazyce

We demonstrate enhanced electronic transport through dimer molecular junctions, which self-assemble between two gold electrodes in pi-pi stabilized binding configurations. Single molecule junction conductance measurements show that benzimidazole molecules assemble into dimer junctions with a per-molecule conductance that is higher than that in monomer junctions. Density functional theory calculations reveal that parallel stacking of two benzimidazoles between electrodes is the most energetically favorable due to the large pi system. Imidazole is smaller and has greater conformational freedom to access different stacking angles. Transport calculations confirm that the conductance enhancement of benzimidazole dimers results from the changed binding geometry of dimers on gold, which is stabilized and made energetically accessible by intermolecular pi stacking.

Název v anglickém jazyce

Cooperative self-assembly of dimer junctions driven by π stacking leads to conductance enhancement

Popis výsledku anglicky

We demonstrate enhanced electronic transport through dimer molecular junctions, which self-assemble between two gold electrodes in pi-pi stabilized binding configurations. Single molecule junction conductance measurements show that benzimidazole molecules assemble into dimer junctions with a per-molecule conductance that is higher than that in monomer junctions. Density functional theory calculations reveal that parallel stacking of two benzimidazoles between electrodes is the most energetically favorable due to the large pi system. Imidazole is smaller and has greater conformational freedom to access different stacking angles. Transport calculations confirm that the conductance enhancement of benzimidazole dimers results from the changed binding geometry of dimers on gold, which is stabilized and made energetically accessible by intermolecular pi stacking.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/EF16_019%2F0000760" target="_blank" >EF16_019/0000760: Fyzika pevných látek pro 21. století</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

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

23

Číslo periodika v rámci svazku

15

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

6937-6943

Kód UT WoS článku

001036101100001

EID výsledku v databázi Scopus

2-s2.0-85167481864