Abstract: The 5-parameter morse potential (5-MP) of interaction between an adatom and metal surface cluster is put forward and performed on O-Pt low index surface systems. The characteristics of critical points are obtained. The theoretical results show that oxygen atom can only adsorb at the four-fold hollow site on Pt (100) ;O adsorbs at the three-fold hollow site and the long-bridge site on the (110) missing-row reconstruction surface. We ulteriorly analyze heredity and variation of vibrational fingerprint properties of three-fold state on Pt(111). We confirm that the experimental data of 59.49 meV and 40.90 meV in the electron energy loss spectrum on the (110) missing-row reconstruction surface belong to vertical vibrations of adsorption states, which are produced by oxygen atom on the three-fold hollow site and long-bridge site, respectively.

Key words: O-Pt system, 5-MP, Adsorption and diffusion, Low index surfaces, 　Vibrational fingerprint