物理化学学报 >> 2004, Vol. 20 >> Issue (12): 1445-1450.doi: 10.3866/PKU.WHXB20041209

研究论文 上一篇    下一篇

氧原子在Pt(s)-[n(111)×(100)]型台阶面上的吸附和振动

刁兆玉; 董晨初; 王泽新; 韩玲利; 郝策   

  1. 山东师范大学化学系,济南 250014; 大连理工大学化工学院,大连 116028
  • 收稿日期:2004-05-19 修回日期:2004-07-20 发布日期:2004-12-15
  • 通讯作者: 王泽新 E-mail:wangzexin@sdnu.edu.cn

Adsorption and Vibration of O on Pt(s)-[n(111)×(100)] Surfaces

Diao Zhao-Yu; Dong Chen-Chu; Wang Ze-Xin; Han Ling-Li; Hao Ce   

  1. Department of Chemistry, Shandong Normal University, Jinan 250014; 1School of Chemical Engineering, Dalian University of Technology, Dalian 116028
  • Received:2004-05-19 Revised:2004-07-20 Published:2004-12-15
  • 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(简称5-MP)方法系统地研究了氧-铂台阶面体系.理论结果表明:在Pt(s)-[n(111)×(100)]型台阶面上,氧原子吸附在台阶下的四重位,对应稳定吸附态β2;平台上靠近四重位的三重吸附态被湮灭,其它三重位对应吸附态β1;而且平台的长度对四重吸附态有影响.

关键词: O-Pt体系,  5-MP,  吸附和振动,  台阶面

Abstract: Oxygen adsorbed on Pt stepped surfaces has been studied by means of the 5-parameter morse potential(5-MP) of interaction between an adatom and metal surface cluster .The theoretical calculated results about O/Pt(s)-[n(111)×(100)] systems draw some conclusions. The four-fold site behind a step that an oxygen atom binds in corresponds to the most stable state named β2-state. And the three-fold site near the four-fold site at a (111) terrace is annihilated, then the other three-fold sites correspond to adsorption states named β1-state. In addition the length of the (111) terrace has effect on the four-fold state.

Key words: O-Pt system,  5-MP,  Adsorption and vibration,  Stepped surfaces