Oxygen sites active in H-abstraction at a Cu(110)-O surface: comparison of a Monte Carlo simulation with imide formation studied by XPS and VEELS

A Monte Carlo simulation of the development of the topographic structure of the Cu(110)-O overlayer has provided quantitative data for the distribution of different oxygen sites during formation of the overlayer. Those oxygen atoms present at the ends of copper-oxygen chains are shown to be able to account for the observed activity of the overlayer in imide formation through H-abstraction from ammonia. The Monte Carlo simulation also mimics closely features of the Cu(110)-O system observed by scanning tunnelling microscopy.