CO adsorption on the Cu(211) surface was investigated using energy, geometry and vibrational data, which were produced through periodic DFT computations. Adsorption on the (111) terrace, as well as the previously reported top and bridge sites of the stepedges, was studied at , , , , , and monolayer (ML) CO coverage. Results showed that up to and including ML, on-top or bridge adsorption is preferred on the step-edges. |