Resolving molecular frontier orbitals in molecular junctions with kHz resolution

Result code in 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>
Result on the web
<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>

Result language
angličtina
Original language name
Resolving molecular frontier orbitals in molecular junctions with kHz resolution
Original language description
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.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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