Dynamics of RS-(Au-SR)x Staple Motifs on Metal Surfaces: From Nanoclusters to 2D Surfaces

Limited stability of metal nanoparticles hinders their long-term uses and applications. For metal nanoclusters, this is even more critical, as physicochemical properties rely on the structure of only a few hundred atoms. Here, we study the irreversible change that Au25(SR)18 suffers upon interaction with 2D metal surfaces. Experimental and density functional theory results allow us to identify the triggering factors of the decomposition process. Our thermodynamic-based approach can be extended to other metal nanocluster/substrates, turning it into a useful tool for predicting the nanoscale stability of these systems.