Anchoring of single-platinum-adatoms on cyanographene: Experiment and theory

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F20%3A73604141" target="_blank" >RIV/61989592:15310/20:73604141 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S2352940719305803" target="_blank" >https://www.sciencedirect.com/science/article/pii/S2352940719305803</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.apmt.2019.100462" target="_blank" >10.1016/j.apmt.2019.100462</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Anchoring of single-platinum-adatoms on cyanographene: Experiment and theory

Popis výsledku v původním jazyce

Graphene decorated with isolated single atoms (SAs) offers new vista to magnetic and spintronic devices up to single-atom catalysts. While sp atoms can be efficiently bound to graphene, d-block atoms require anchoring groups to prevent nanoparticle formation. Identification of suitable binding sites is a challenging task because the interaction among graphene, anchoring groups and adatoms is very complex. Using density functional theory (DFT) we explored strength and nature of interactions of graphene covalently functionalized by -OH, -CN, -F, and -H groups as anchors for Pt SAs. Both theory and experiment showed that CN groups acted as suitable ligand enabling immobilization of 3.7 wt % single Pt adatoms. The findings imply that CN functionalized graphene, i.e., cyanographene, is a perspective material for anchoring metal adatoms with potential implications as single-atom-catalysts.

Název v anglickém jazyce

Anchoring of single-platinum-adatoms on cyanographene: Experiment and theory

Popis výsledku anglicky

Graphene decorated with isolated single atoms (SAs) offers new vista to magnetic and spintronic devices up to single-atom catalysts. While sp atoms can be efficiently bound to graphene, d-block atoms require anchoring groups to prevent nanoparticle formation. Identification of suitable binding sites is a challenging task because the interaction among graphene, anchoring groups and adatoms is very complex. Using density functional theory (DFT) we explored strength and nature of interactions of graphene covalently functionalized by -OH, -CN, -F, and -H groups as anchors for Pt SAs. Both theory and experiment showed that CN groups acted as suitable ligand enabling immobilization of 3.7 wt % single Pt adatoms. The findings imply that CN functionalized graphene, i.e., cyanographene, is a perspective material for anchoring metal adatoms with potential implications as single-atom-catalysts.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

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>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2020

Kód důvěrnosti údajů

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

Název periodika

Applied Materials Today

ISSN

2352-9407

e-ISSN

—

Svazek periodika

18

Číslo periodika v rámci svazku

MAR

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

7

Strana od-do

"100462-1"-"100462-7"

Kód UT WoS článku

000530651300014

EID výsledku v databázi Scopus

2-s2.0-85072393239