Towards design rules for covalent nanostructures on metal surfaces

Abstract

The covalent molecular assembly on metal surfaces is explored, outlining the different types of applicable reactions. Density functional calculations for on-surface reactions are shown to yield valuable insights into specific reaction mechanisms and trends across the periodic table. Finally, it is shown how design rules could be derived for nanostructures on metal surfaces.

Keywords: covalent assembly; density functional calculations; nanomaterials; surface chemistry; transition-state theory.