Non-covalent modification of single wall carbon nanotubes (SWCNTs) by thienothiophene derivatives

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388971%3A_____%2F22%3A00565057" target="_blank" >RIV/61388971:_____/22:00565057 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60076658:12310/22:43905336

Výsledek na webu

<a href="https://pubs.rsc.org/en/content/articlelanding/2022/NR/D2NR04582F" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2022/NR/D2NR04582F</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d2nr04582f" target="_blank" >10.1039/d2nr04582f</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Non-covalent modification of single wall carbon nanotubes (SWCNTs) by thienothiophene derivatives

Popis výsledku v původním jazyce

Non-covalent functionalization of single wall carbon nanotubes (SWCNTs) has been conducted using several binding agents with surface pi-interaction forces in recent studies. Herein, we present the first example of non-covalent functionalization of sidewalls of SWCNTs using thienothiophene (TT) derivatives without requiring any binding agents. Synthesized TT derivatives, TT-CN-TPA, TT-CN-TPA2 and TT-COOH-TPA, were attached directly to SWCNTs through non-covalent interactions to obtain new TT-based SWCNT hybrids, HYBRID 1-3. Taking advantage of the presence of sulfur atoms in the structure of TT, HYBRID 1, as a representative, was treated with Au nanoparticles for the adsorption of Au by sulfur atoms, which generated dear TEM images of the particles. The images indicated the attachment of TTs to the surface of SWCNTs. Thus, the presence of sulfur atoms in TT units made the binding of TTs to SWCNTs observable via TEM analysis through adsorption of Au nanoparticles by the sulfur atoms. Surface interactions between TTs and SWCNTs of the new hybrids were also clarified by classical molecular dynamic simulations, a quantum mechanical study, and SEM, TEM, AFM and contact angle (CA) analyses. The minimum distance between a TT and a SWCNT reached up to 3.5 angstrom, identified with strong peaks on a radial distribution function (RDF), while maximum interaction energies were raised to316.89 kcal mol(-1), which were determined using density functional theory (DFT).

Název v anglickém jazyce

Non-covalent modification of single wall carbon nanotubes (SWCNTs) by thienothiophene derivatives

Popis výsledku anglicky

Non-covalent functionalization of single wall carbon nanotubes (SWCNTs) has been conducted using several binding agents with surface pi-interaction forces in recent studies. Herein, we present the first example of non-covalent functionalization of sidewalls of SWCNTs using thienothiophene (TT) derivatives without requiring any binding agents. Synthesized TT derivatives, TT-CN-TPA, TT-CN-TPA2 and TT-COOH-TPA, were attached directly to SWCNTs through non-covalent interactions to obtain new TT-based SWCNT hybrids, HYBRID 1-3. Taking advantage of the presence of sulfur atoms in the structure of TT, HYBRID 1, as a representative, was treated with Au nanoparticles for the adsorption of Au by sulfur atoms, which generated dear TEM images of the particles. The images indicated the attachment of TTs to the surface of SWCNTs. Thus, the presence of sulfur atoms in TT units made the binding of TTs to SWCNTs observable via TEM analysis through adsorption of Au nanoparticles by the sulfur atoms. Surface interactions between TTs and SWCNTs of the new hybrids were also clarified by classical molecular dynamic simulations, a quantum mechanical study, and SEM, TEM, AFM and contact angle (CA) analyses. The minimum distance between a TT and a SWCNT reached up to 3.5 angstrom, identified with strong peaks on a radial distribution function (RDF), while maximum interaction energies were raised to316.89 kcal mol(-1), which were determined using density functional theory (DFT).

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10606 - Microbiology

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

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

Název periodika

Nanoscale

ISSN

2040-3364

e-ISSN

2040-3372

Svazek periodika

14

Číslo periodika v rámci svazku

44

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

9

Strana od-do

16602-16610

Kód UT WoS článku

000876959400001

EID výsledku v databázi Scopus

2-s2.0-85141871529