Looking underneath fullerenes on Au(110): Formation of dimples in the substrate

Abstract

The adsorption of organic molecules on metal surfaces can lead to complex nanostructuration of the supporting substrate. The precise atomistic and electronic structures of the C60/Au(110) interface are unveiled by combining synchrotron-based diffraction and spectroscopic techniques with density functional theory calculations. We show that the interaction between C60 molecules with Au(110) surface induces a massive interface reorganization, which leads to the $\mathrm{Au}(110)\text{\ensuremath{-}}p(6\ifmmode\times\else\texttimes\fi{}5)$ substrate reconstruction and to the formation of surface nanodimples. The fullerenes are hosted by these nanodimples, which are one and two layers deep. We provide evidence that the larger contact area between the C60 and the metal, which results from the substrate rearrangement, allows for the formation of strong directional C-Au bonds.