Acta Phys. -Chim. Sin. ›› 1998, Vol. 14 ›› Issue (01): 68-72.doi: 10.3866/PKU.WHXB19980113
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Zhang Ying, Xu Hai-Bo
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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
Zhang Ying, Xu Hai-Bo. CO Chemisorption on Disordered Binary Alloy[J].Acta Phys. -Chim. Sin., 1998, 14(01): 68-72.
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URL: http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB19980113
http://www.whxb.pku.edu.cn/EN/Y1998/V14/I01/68
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