中国物理B ›› 2006, Vol. 15 ›› Issue (3): 641-644.doi: 10.1088/1009-1963/15/3/033

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Research of the behaviour of O chemisorption on the (110) surface of Rhx--Pt1－x alloy

张辉, 张国英, 王瑞丹, 钟博   

  1. College of Physical Science and Technology, Shenyang Normal University,Shenyang 110034, China
  • 收稿日期:2005-04-27 修回日期:2005-10-21 出版日期:2006-03-20 发布日期:2006-03-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 50571071).

Research of the behaviour of O chemisorption on the (110) surface of Rhx--Pt1-x alloy

Zhang Hui (张辉), Zhang Guo-Ying (张国英), Wang Rui-Dan (王瑞丹), Zhong Bo (钟博)   

  1. College of Physical Science and Technology, Shenyang Normal University, Shenyang 110034, China
  • Received:2005-04-27 Revised:2005-10-21 Online:2006-03-20 Published:2006-03-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No 50571071).

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摘要： An atomic group model of the disordered binary alloy Rh$_{x}$--Pt$_{1-x}$ has been constructed to investigate surface segregation. According to the model, we have calculated the electronic structure of the Rh$_{x}$--Pt$_{1 - x }$alloy surface by using the recursion method when O atoms are adsorbed on the Rh$_{x}$--Pt$_{1-x }$(110) surface under the condition of coverage 0.5. The calculation results indicate that the chemical adsorption of O changes greatly the density of states near the Fermi level, and the surface segregation exhibits a reversal behaviour. In addition, when $x<0.3$, the surface on which O is adsorbed displays the property of Pt; whereas when $x>0.3$ it displays the property of Rh.

关键词: chemisorption, surface segregation, recursion method, density of states

Abstract: An atomic group model of the disordered binary alloy Rh$_{x}$--Pt$_{1-x}$ has been constructed to investigate surface segregation. According to the model, we have calculated the electronic structure of the Rh$_{x}$--Pt$_{1 - x }$alloy surface by using the recursion method when O atoms are adsorbed on the Rh$_{x}$--Pt$_{1-x }$(110) surface under the condition of coverage 0.5. The calculation results indicate that the chemical adsorption of O changes greatly the density of states near the Fermi level, and the surface segregation exhibits a reversal behaviour. In addition, when $x<0.3$, the surface on which O is adsorbed displays the property of Pt; whereas when $x>0.3$ it displays the property of Rh.

Key words: chemisorption, surface segregation, recursion method, density of states

中图分类号:  (Chemisorption/physisorption: adsorbates on surfaces)

  • 68.43.-h
68.35.Dv (Composition, segregation; defects and impurities) 73.20.At (Surface states, band structure, electron density of states) 68.47.-b (Solid-gas/vacuum interfaces: types of surfaces)