Adsorption of an O atom on the Cu(311) step defective surface

The adsorption of an O atom on the Cu (311) surface was studied with use of the five-parameter Morse potential (5-MP for short) of interaction between an adatom and metal surface cluster. For the first time, the data of adsorption sites, adsorption geometry, binding energy and eigenvibration, etc. for an O atom adsorbed on the Cu (311) surface are obtained in our calculation, and agree well with experimental results. An interesting competition between high coordinated adsorption sites is observed and the experimental argument that there are two types of adsorption sites for an O atom on the Cu (311) surface is confirmed by our calculation.