Acta Phys. -Chim. Sin. ›› 2004, Vol. 20 ›› Issue (12): 1445-1450.doi: 10.3866/PKU.WHXB20041209

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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

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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