Adsorption of 2-thiophene curcuminoid molecules on a Au(111) surface

Abstract

We provide a systematic ab initio study on the adsorption of 2-thiophene curcuminoid (2-thphCCM) molecules on a Au(111) surface. In this work we present the determination of the optimal configuration of a single molecule on the surface as well as a detailed study of the energetics of the different arrangements of two molecules considering their intermolecular interactions. We simulate the STM measurements associated with the optimal configuration and compare it with the experimental data.