Project detail

Substrate-decoupled 2D Metal-Organic Frameworks for Single Atom Catalysis

Duration: 01.01.2024 — 31.12.2026

Funding resources

Czech Science Foundation - LA granty

- whole funder (2024-02-19 - 2026-12-31)

On the project

Single atom catalysis (SAC) promises to make green technologies economically viable, but the atomic -scale understanding required for further development is difficult to achieve on working catalysts. We will unravel the fine details of single atom reactivity by studying the catalytic properties of substrate-decoupled 2D metal-organic frameworks (MOFs). These systems mimic the metal-Nx sites reported on the most promising single-atom catalysts, and our methodology provides direct links between atomically defined models and these real systems. We will use graphene as a substrate, whose chemical inertness and structural stability grants us full control over the metal sites within the 2D MOFs: The coordination geometry is defined by the ligand molecules, the chemical properties are determined by the choice of the metal, and the electronic configuration can be adjusted by substrate doping. These three parameters can be varied independently of each other, which will allow us to identify the parameters responsible for the desired functionality and tune the system for optimal performance.

Keywords
single-atom catalysis;surface science;atomic-scale insights;coordination geometry;charge transfer

Mark

24-10593L

Default language

English

People responsible

Jakub Zdeněk, Dr. techn. - principal person responsible

Units

Central European Institute of Technology BUT
- responsible department (2023-03-06 - 2023-03-22)
Molecular Nanostructures at Surfaces
- beneficiary (2024-05-01 - 2027-03-31)