Cooperative Use of N-Heterocyclic Carbenes and Thiols on a Silver Surface: A Synergetic Approach to Surface Modification

Surface modification through the formation of a self-assembled monolayer (SAM) can effectively engineer the physicochemical properties of the surface/material. However, the precise design of multifunctional SAMs at the molecular level is still a major challenge. Here, we jointly use N-heterocyclic carbenes (NHCs) and thiols to form multifunctional hetero-SAM systems that demonstrate excellent chemical stability, electrical conductivity, and, in silico, catalytic activity. This synergistic effect is facilitated by the high surface mobility and electron-rich nature of NHCs, combined with the strong binding strength of thiols. Scanning tunneling microscopy, electrical conductivity, and scanning electron microscope measurements, as well as density functional theory calculations, were employed to explore the synergistic interactions in the supramolecular SAMs. The van der Waals integration of ballbot-type NHCs and thiols enables the SAMs to exhibit both superior surface anticorrosion properties (attributing to the shift in the