Resolving molecular frontier orbitals in molecular junctions with kHz resolution

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F24%3A00599571" target="_blank" >RIV/68378271:_____/24:00599571 - isvavai.cz</a>

Výsledek na webu

<a href="https://hdl.handle.net/11104/0357443" target="_blank" >https://hdl.handle.net/11104/0357443</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/D4SC05285D" target="_blank" >10.1039/D4SC05285D</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Resolving molecular frontier orbitals in molecular junctions with kHz resolution

Popis výsledku v původním jazyce

Designing and building single-molecule circuits with tailored functionalities requires a detailed knowledge of the junction electronic structure. The energy of frontier molecular orbitals and their electronic coupling to the electrodes play a key role in determining the conductance of nanoscale molecular circuits. Here, we developed a method for measuring current-voltage (I−V) characteristics of single-molecule junctions with a time resolution that is two orders of magnitude higher than previously achieved. These I−V measurements with high temporal resolution, together with atomistic simulations, enabled us to characterize in detail the frontier molecular states and their evolution in sub-angstrom stretching of the junction. For a series of molecules, changes in the electronic structure were resolved as well as their fluctuations prior to the junction breakdown. This study describes a new methodology to determine the key frontier MO parameters at single-molecule junctions and demonstrates how these can be mechanically tuned at the single-molecule level.

Název v anglickém jazyce

Resolving molecular frontier orbitals in molecular junctions with kHz resolution

Popis výsledku anglicky

Designing and building single-molecule circuits with tailored functionalities requires a detailed knowledge of the junction electronic structure. The energy of frontier molecular orbitals and their electronic coupling to the electrodes play a key role in determining the conductance of nanoscale molecular circuits. Here, we developed a method for measuring current-voltage (I−V) characteristics of single-molecule junctions with a time resolution that is two orders of magnitude higher than previously achieved. These I−V measurements with high temporal resolution, together with atomistic simulations, enabled us to characterize in detail the frontier molecular states and their evolution in sub-angstrom stretching of the junction. For a series of molecules, changes in the electronic structure were resolved as well as their fluctuations prior to the junction breakdown. This study describes a new methodology to determine the key frontier MO parameters at single-molecule junctions and demonstrates how these can be mechanically tuned at the single-molecule level.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

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

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

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

Název periodika

Chemical Science

ISSN

2041-6520

e-ISSN

2041-6539

Svazek periodika

15

Číslo periodika v rámci svazku

42

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

9

Strana od-do

17328-17336

Kód UT WoS článku

001321963300001

EID výsledku v databázi Scopus

2-s2.0-85205921373