物理化学学报 >> 2004, Vol. 20 >> Issue (09): 1123-1128.doi: 10.3866/PKU.WHXB20040913

研究论文 上一篇    下一篇

氧原子在Pt低指数面上的吸附和振动

刁兆玉;董晨初;王泽新   

  1. 山东师范大学化学系,济南 250014
  • 收稿日期:2004-02-26 修回日期:2004-05-10 发布日期:2004-09-15
  • 通讯作者: 王泽新 E-mail:wangzexin@sdnu.edu.cn

Adsorption and Vibration of Oxygen Atom on Low Index Pt Planes

Diao Zhao-Yu;Dong Chen-Chu;Wang Ze-Xin   

  1. Department of Chemistry, Shandong Normal University, Jinan 250014
  • Received:2004-02-26 Revised:2004-05-10 Published:2004-09-15
  • Contact: Wang Ze-Xin E-mail:wangzexin@sdnu.edu.cn

摘要: 应用原子和表面簇合物相互作用的5参数Morse势方法(简称5-MP)对O-Pt低指数表面体系进行了研究,并获得了全部临界点特性.计算结果表明,氧原子在Pt(100)面上只存在四重吸附态.在缺行重构的(110)面上,氧原子仍吸附于三重位,随着覆盖度的增加还会嵌切吸附于长桥位;通过分析三重态振动指纹性质的遗传和遗变,确认实验观察到的59.49和40.90 meV损失谱分别为氧原子在三重位和长桥位吸附态的表面垂直振动.

关键词: O-Pt体系, 5-MP, 吸附和扩散, 低指数面, 振动指纹

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