物理化学学报 >> 1998, Vol. 14 >> Issue (01): 68-72.doi: 10.3866/PKU.WHXB19980113

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CO在无序二元合金表面上化学吸附研究

张莹, 许海波   

  1. 河南师范大学物理系，新乡 473002
  • 收稿日期:1997-03-31 修回日期:1997-06-27 发布日期:1998-01-15
  • 通讯作者: 张莹

CO Chemisorption on Disordered Binary Alloy

Zhang Ying, Xu Hai-Bo   

  1. Department of Physics,Henan Normal University,Xinxiang 453002
  • Received:1997-03-31 Revised:1997-06-27 Published:1998-01-15
  • Contact: Zhang Ying

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摘要：

在紧束缚近似下，用相关势近似（CPA）和Einstein-Schrieffer（ES）单电子化学吸附理论讨论了CO在无序二元合金NixCu1-x, PtxNi1-x和PtxCu1-x表面上的化学吸附特性. 结果表明：CO在NixCu1-x和PtxCu1-x表面上化学吸附稳定性随Ni和Pt含量的增加而增强；CO在PtxNi1-x表面上化学吸附时，当Pt与Ni的含量比例（摩尔比）为2：8时，吸附最稳定，在Pt与Ni的含量比例（摩尔比）为7:3时最不稳定
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关键词: 各林函数方法, 相关势近似, 化学吸附能

Abstract:

 The one-dimensional tight-binding model and the one-electron chemisorption energy are used to study the absorption of CO on PtxCu1-x, PtxNi1-x and NixCu1-x with the coherent potential approximation (CPA).The results are as follows;
(1)For the systems of CO/NixCu1-x and PtxCu1-x chemisorption energy(△E) increase with the increase of Ni's content and Pt's content, resulting in an unstable chemisorption;
(2)For the systems of CO/PtxNi1-x, the most stable chemisorption occurs at the mole ratio of Pt:Ni8:2 and the most unstable chemisorption occures at the mole ratio 7:3.

Key words: Green function method, Coherent-potential approximation(CPA), Chemisorption energy