东北大学学报（自然科学版）

东北大学学报(自然科学版) ›› 2004, Vol. 25 ›› Issue (2): 197-200.DOI: -

• 论著 • 上一篇    下一篇

化学吸附与表面多层偏析的相互影响:H/Au-Ag

张辉;张国英;魏国柱;刘士阳   

  1. 东北大学理学院;沈阳师范大学;东北大学理学院;沈阳师范大学 辽宁沈阳　110004
  • 收稿日期:2013-06-24 修回日期:2013-06-24 出版日期:2004-02-15 发布日期:2013-06-24
  • 通讯作者: Liu, S.-Y.
  • 作者简介:-
  • 基金资助:
    教育部科学研究重点资助项目(99026)

Chemisorption-induced multilayer segregation: H/Au-Ag

Zhang, Hui (1); Zhang, Guo-Ying (2); Wei, Guo-Zhu (2); Liu, Shi-Yang (2)   

  1. (1) Sch. of Sci., Northeastern Univ., Shenyang 110004, China; (2) Phys. Dept., Shenyang Normal Univ., Shenyang 110034, China
  • Received:2013-06-24 Revised:2013-06-24 Online:2004-02-15 Published:2013-06-24
  • Contact: Liu, S.-Y.
  • About author:-
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摘要： 采用格林函数(GF)方法和多重耦合自洽相干势近似(CPA)方法,研究了氢在Au Ag多层偏析无序二元合金表面的化学吸附,详细地讨论了DBA表面的多层偏析和化学吸附间的相互影响·结果表明,化学吸附引起的表面偏析能够在很大程度上改变合金表面成分和化学吸附能·对于H/Au Ag系统,可以看到随着计入的原子层数的增加,化学吸附能值表现出波动的特征·

关键词: 表面偏析, 化学吸附能, 无序二元合金, 相干势近似, 吸附质, 格林函数

Abstract: The chemisorption of hydrogen on the multilayer surface segregated Au-Ag alloy is investigated using Green function method and the multicoupling self-consistent coherent-potential approximation. The interaction between chemisorption and multilayer surface segregation is discussed in detail. The chemisorption-induced surface segregation can change greatly the surface component of the alloy as well as the chemisorption energy. For H/Au-Ag system, a fluctuation characteristic of the calculated values of chemisorption energy is found if increasing the number of surface layers to calculate.

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