Functional Design of a Reconfigurable Molecular Nanomachine: A Promising Domain for Optically Propelled Molecular Motors

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F23%3A00576467" target="_blank" >RIV/61388963:_____/23:00576467 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989592:15640/23:73621703 RIV/61989100:27740/23:10253092

Výsledek na webu

<a href="https://doi.org/10.1021/acs.jpcc.3c02533" target="_blank" >https://doi.org/10.1021/acs.jpcc.3c02533</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcc.3c02533" target="_blank" >10.1021/acs.jpcc.3c02533</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Functional Design of a Reconfigurable Molecular Nanomachine: A Promising Domain for Optically Propelled Molecular Motors

Popis výsledku v původním jazyce

The utilization of light-driven functional molecules as components of nanoscale devices has the potential to contribute to advancements in electronic circuit shrinkage. By incorporating these molecules into molecular machinery, there are possibilities for achieving improved miniaturization and enhanced device performance. The second-generation 9H-fluorene-based system is a promising building block for the design and development of a full-scale molecular machine. The electronic-level modulations associated with rotational motion are investigated by using density functional theory (DFT). Following that, the magnetoelectric changes in the molecular system are mapped using a non-equilibrium Green's function (NEGF)-based transport study. The theoretical design of such conjugates can serve as a driving force in developing technology for remotely controlled nanoscale devices. The findings are critical for advancing organic opto-spintronics and account for the exceptional ability of light-active molecular motors to perform mechanical work at the molecular level.

Název v anglickém jazyce

Functional Design of a Reconfigurable Molecular Nanomachine: A Promising Domain for Optically Propelled Molecular Motors

Popis výsledku anglicky

The utilization of light-driven functional molecules as components of nanoscale devices has the potential to contribute to advancements in electronic circuit shrinkage. By incorporating these molecules into molecular machinery, there are possibilities for achieving improved miniaturization and enhanced device performance. The second-generation 9H-fluorene-based system is a promising building block for the design and development of a full-scale molecular machine. The electronic-level modulations associated with rotational motion are investigated by using density functional theory (DFT). Following that, the magnetoelectric changes in the molecular system are mapped using a non-equilibrium Green's function (NEGF)-based transport study. The theoretical design of such conjugates can serve as a driving force in developing technology for remotely controlled nanoscale devices. The findings are critical for advancing organic opto-spintronics and account for the exceptional ability of light-active molecular motors to perform mechanical work at the molecular level.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

<a href="/cs/project/GX19-27454X" target="_blank" >GX19-27454X: Ovlivnění elektronických vlastností organometalických molekul pomocí jejich nekovalentních interakcí s rozpouštědly, ligandy a 2D nanosystémy</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

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

1932-7455

Svazek periodika

127

Číslo periodika v rámci svazku

37

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

18574-18585

Kód UT WoS článku

001065440600001

EID výsledku v databázi Scopus

2-s2.0-85172882791