<u>Adsorption And Diffusion Properties of Aromatic Molecules on Silica/Ru(0001)</u>

Now a days, organic materials are replacing the conventional Si based ones in electronic devices due to being cheap, light weight and flexible. These devices are manufactured with metal contacts at both ends, providing support and/or electric conduction. Electronic properties at both ends are changed due to charge transfer at the interface affecting performance. In order to control charge transfer, we are investigating effects of inserting an inert layer separating the two. Using DFT with added vdW corrections and surface science spectroscopic techniques (XPS, LEED etc), we are studying adsorption of aromatic molecules on Ru(0001) with and without silica layer in between. Silica layer is shown to greatly inhibit adsorption strength and charge transfer at the interface. Using CI-NEB (Climbing Image Nudge Elastic Band) and TPD (Temperature Programmed Desorption) measurements, diffusion characteristics of molecules through pores of silica sheet and under the layer are thoroughly discussed. Comparison of simulation and experiment can provide better understanding of important processes at the interface.