Ostwald ripening microkinetic simulation of Au clusters on MgO

We investigated the mechanisms and the microkinetics associated with the growth of Au clusters on the Mg(001) surface for clusters size in the range of 1 to 10 atoms.

The dataset contains thermodynamic data (activations and reactions energies) and raw kinetics data that helped us bring the research conclusions. Upon growth, the number of inter-metallic interactions increases to the detriment of metal-support interactions. We highlighted the odd-even effect induced during the growth of Au clusters. The microkinetic model combined with DFT results provided a unique 'bottom-up approach of the Ostwald sintering of Au clusters on MgO.

Research results based upon these results are published at https://doi.org/10.1016/j.apsusc.2021.151317