NanoCrystalysis – Crystallization of nanoalloys for electrocatalysis: Synthesis, characterization and simulation

Research project selected under the 2021 call for proposals

With the advent of cheap renewable electricity, electrocatalysis has emerged as an attractive alternative to the more traditional thermal catalysis. In particular, it can be applied to the synthesis of valuable chemicals from biomass-derived platform molecules, thus requiring the development of efficient dedicated electrocatalysts. In our proposal, we wish to investigate the synthesis and properties of electrocatalytic nanoalloys to accomplish this biomass valorization. For this purpose, we will combine three valuable expertises. First, we will generate ligand-free Au/Rh nanoalloys using gas-phase synthesis. Chemical and morphological properties of the products will then be rationalized and guided using machine-learning techniques that allow for performing large scale atomistic simulations. Finally, we will monitor the electrocatalytic performance of the obtained nanoalloys for the conversion of biomass-derived furfural and 5-hydroxymethylfurfural into value-added molecules.