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