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

Authors: 
Kitchin, J., Carnegie Mellon University


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).