Electronic structure and properties of highly ordered C₆₀ nano arrays on Au (111): STM & DFT study

Template assisted assembly of molecular nano arrays is one of the key steps towards molecular electronics and fullerene is one of the potential structural building blocks in fabrication of identical molecular nano arrays for miniature devices such as photovoltaic devices and single-molecule transistors. In this report, the reconstructed Au (111) with defect areas (steps) has been used as a template to assemble the highly ordered C₆₀ nano array at low coverage studied with scanning tunnelling microscopy (STM) in conjunction with density functional theory (DFT). The interaction between the substrate and C₆₀ nano arrays is strong enough to change the geometrical shape of C₆₀. As a result of strong interaction, the C₆₀ molecule appears to be deformed into ellipsoidal shape which causes the reduction of C₆₀ nano arrays on step sites of Au (111).