How the Support Defines Properties of 2D Metal-Organic Frameworks: Fe-TCNQ on Graphene versus Au(111)

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26620%2F24%3APU151406" target="_blank" >RIV/00216305:26620/24:PU151406 - isvavai.cz</a>

Výsledek na webu

<a href="https://pubs.acs.org/doi/10.1021/jacs.3c13212" target="_blank" >https://pubs.acs.org/doi/10.1021/jacs.3c13212</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/jacs.3c13212" target="_blank" >10.1021/jacs.3c13212</a>

Jazyk výsledku

angličtina

Název v původním jazyce

How the Support Defines Properties of 2D Metal-Organic Frameworks: Fe-TCNQ on Graphene versus Au(111)

Popis výsledku v původním jazyce

The functionality of 2D metal-organic frameworks (MOFs) is crucially dependent on the local environment of the embedded metal atoms. These atomic-scale details are best ascertained on MOFs supported on well-defined surfaces, but the interaction with the support often changes the MOF properties. We elucidate the extent of this effect by comparing the Fe-TCNQ 2D MOF on two weakly interacting supports: graphene and Au(111). We show that the Fe-TCNQ on graphene is nonplanar with iron in quasi-tetrahedral sites, but on Au(111) it is planarized by stronger van der Waals interaction. The differences in physical and electronic structures result in distinct properties of the supported 2D MOFs. The d (2 )(z )center position is shifted by 1.4 eV between Fe sites on the two supports, and dramatic differences in chemical reactivity are experimentally identified using a TCNQ probe molecule. These results outline the limitations of common on-surface approaches using metal supports and show that the intrinsic MOF properties can be partially retained on graphene.

Název v anglickém jazyce

How the Support Defines Properties of 2D Metal-Organic Frameworks: Fe-TCNQ on Graphene versus Au(111)

Popis výsledku anglicky

The functionality of 2D metal-organic frameworks (MOFs) is crucially dependent on the local environment of the embedded metal atoms. These atomic-scale details are best ascertained on MOFs supported on well-defined surfaces, but the interaction with the support often changes the MOF properties. We elucidate the extent of this effect by comparing the Fe-TCNQ 2D MOF on two weakly interacting supports: graphene and Au(111). We show that the Fe-TCNQ on graphene is nonplanar with iron in quasi-tetrahedral sites, but on Au(111) it is planarized by stronger van der Waals interaction. The differences in physical and electronic structures result in distinct properties of the supported 2D MOFs. The d (2 )(z )center position is shifted by 1.4 eV between Fe sites on the two supports, and dramatic differences in chemical reactivity are experimentally identified using a TCNQ probe molecule. These results outline the limitations of common on-surface approaches using metal supports and show that the intrinsic MOF properties can be partially retained on graphene.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

R - Projekt Ramcoveho programu EK

Rok uplatnění

2024

Kód důvěrnosti údajů

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

Název periodika

Journal of the American Chemical Society

ISSN

0002-7863

e-ISSN

1520-5126

Svazek periodika

146

Číslo periodika v rámci svazku

5

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

3471-3482

Kód UT WoS článku

001158702700001

EID výsledku v databázi Scopus

2-s2.0-85184515945