73f Coverage Effects in the Adsorption Energy of Oxygen on Pd and Ag(111)

John Kitchin, Chemical Engineering, Carnegie Mellon University, 5000 Forbes Ave, 2208C Doherty Hall, Pittsburgh, PA 15213

We have used density functional theory to investigate and compare the coverage dependence of the adsorption energy of oxygen on Pd(111) and Ag(111) between 1/8 and 1 ML. We found that the adsorption energy on these surfaces can not be simply characterized as a function of coverage without also considering the detailed arrangement of oxygen atoms on the surface. Despite this complexity we observed the same trends in configurational dependence of the adsorption energy of oxygen on both Pd(111) and Ag(111).