Adsorption and Diffusion of O Atoms on Ag(210) Stepped Surface*

The O-Ag(210) surface adsorption system was studied via the five-parameter Morse potential theory. Meanwhile, the 2O-Ag(210) system was investigated via the extended London-Eyring-Polanyi-Sato(LEPS) potential theory to learn the interaction between the adsorption states. Calculated results demonstrate that there are two stable on-surface adsorption sites(B and H) for O atoms on Ag(210) stepped surface. And the perpendicular vibrations are 30. 3 and 42. 9 meV, which are close to that observed in high resolution electron energy loss spectroscopy (HREELS). Also, there exists an octahedral subsurface adsorption state with a high vibrational frequency, and the interaction between the on-surface and subsurface O species is slight. The mode at 54. 6 meV, which is close to that observed in HREELS(54–56 meV), is because of the vibration of the O atom on B site under the influence of that on H site.