Publication detail

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

JAKUB, Z. TRLLOVÁ SHAHSAVAR, A. PLANER, J. HRŮZA, D. HERICH, O. PROCHÁZKA, P. ČECHAL, J.

Original Title

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

Type

journal article in Web of Science

Language

English

Original Abstract

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.

Keywords

Chemical structure; Metal organic frameworks; Scanning tunneling microscopy; Two dimensional materials; Work function

Authors

JAKUB, Z.; TRLLOVÁ SHAHSAVAR, A.; PLANER, J.; HRŮZA, D.; HERICH, O.; PROCHÁZKA, P.; ČECHAL, J.

Released

22. 1. 2024

Publisher

American Chemical Society

Location

WASHINGTON

ISBN

1520-5126

Periodical

Journal of the American Chemical Society

Year of study

146

Number

5

State

United States of America

Pages from

3471

Pages to

3482

Pages count

12

URL

https://pubs.acs.org/doi/10.1021/jacs.3c13212

Full text in the Digital Library

http://hdl.handle.net/11012/245710

BibTex

@article{BUT188698,
  author="Zdeněk {Jakub} and Azin {Trllová Shahsavar} and Jakub {Planer} and Dominik {Hrůza} and Ondrej {Herich} and Pavel {Procházka} and Jan {Čechal}",
  title="How the Support Defines Properties of 2D Metal-Organic Frameworks: Fe-TCNQ on Graphene versus Au(111)",
  journal="Journal of the American Chemical Society",
  year="2024",
  volume="146",
  number="5",
  pages="3471--3482",
  doi="10.1021/jacs.3c13212",
  issn="1520-5126",
  url="https://pubs.acs.org/doi/10.1021/jacs.3c13212"
}