In situ XAS-XRD study on the fundamental stability region and surface properties of i-MXenes under reactant atmospheres (H2, CO2).

The Pt-like behavior of Mo and W carbides has made them promising catalysts for various applications including valorization of CO2. Proposed here are XAS-XRD studies of model, well-defined, two-dimensional (2D) vacancy-ordered carbides (i-MXenes) that aim to unlock potential of these materials for CO2 conversion reactions. Combined in situ XAS/XRD experiments under reactant atmospheres will help establishing the fundamental stability region and surface properties of Mo and W-based i-MXenes. This knowledge will guide the pretreatment conditions of these materials, and their rational application in catalytic reactions with oxygenated species. Finally, a route for obtaining defunctionalized surfaces of i-MXenes will pave the way for the development of effective protocols for the atomically-precise anchoring of transition metals onto the ordered vacancies in i-MXenes, to further engineer their properties for applications in heterogeneous catalysis.