ANR project

Defect engineering in two-Dimensional transition metal carbides (MXenes) for enhanced reactivity: a route towards improved functional properties

Dates:
December 01, 2024 – November 30, 2028

Project coordinator:
Institut Pprime (Institut P’), Poitiers

Partner laboratories:
IMN, Institut de Chimie des Milieux et Matériaux de Poitiers (IC2MP)

IMN staff involved:
Thierry BROUSSE, Philippe MOREAU, Olivier CROSNIER, Camille DOUARD, Eric GAUTRON

Defect engineering in two-dimensional transition metal carbides (MXenes) for enhanced reactivity: a route to improved functional properties

The aim of the 2Dfects project is to develop irradiation (Ir) and ion implantation (Im) methods as new structural and chemical engineering approaches for two-dimensional sheets of transition metal carbides (MXenes). We seek to exacerbate their reactivity and profoundly modify their properties. MXenes form a large family of 2D systems with a wide range of physico-chemical properties that point to a wide range of applications.

In addition to sheet chemistry, one way of modifying their properties in depth is to play on their surface functionalization. Our aim is therefore to gain access to new functionalizations compared with conventional chemical methods, or to dope the sheets with elements of interest. Ir/Im offers advantages such as spiking possibilities with a very large number of elements and fine control of the damage/doping rate. The impact on properties will be studied, focusing on the optical, electrical and charge storage properties of MXenes. Combined, these properties pave the way for flexible conductive electrodes or transparent supercapacitors, which are key elements in new electronic devices.

In order to rationalize the role of induced modifications on the properties studied, a major physicochemical characterization component will be implemented, right down to the atomic scale to tailor Ir/Im conditions for targeted defect configurations. As Ir/Im mechanisms are complex, experimental characterizations will be based on ab initio simulations. Defining optimized Ir/Im protocols and understanding the associated physicochemical modifications in MXene 2D sheets would open up a new field of research in MXene functionalization. These results could lead to the development of new associated functional properties.