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本文采用Ｓｕｌｓｔｏｎ等人发展的一维紧束缚半无限二元无序合金模型（ＤＢＡ）和格林函数方法，在相关势近似（ＣＰＡ）下利用Ｅｉｎｓｔｅｉｎ－Ｓｃｈｒｉｅｆｅｒ（ＥＳ）化学吸附理论，通过ＣＯ分别在ＣｏＲｕ、ＲｕＮｉ及ＲｕＣｕ合金表面吸附能的计算，讨论了ＣＯ在以上３种合金表面化学吸附的稳定性．结果表明：（１）ＣＯ在ＣｏＲｕ合金表面化学吸附稳定性随Ｒｕ含量的增加而降低，近似呈线性变化；（２）ＣＯ在ＲｕＮｉ表面的化学吸附，在Ｒｕ含量小于２０％情况下，吸附稳定性随Ｒｕ含量的增加而增加．当Ｒｕ含量大于２０％而继续增加时，吸附稳定性呈减弱趋势；在Ｒｕ与Ｎｉ含量比例为２８处，吸附最为稳定．（３）ＣＯ在ＲｕＣｕ表面化学吸附时，对应Ｒｕ与Ｃｕ含量比例为６４化学吸附能有一最大负值，表明此时ＣＯ化学吸附最稳定．
In this paper, we use Einstein-Schriefer (ES) chemisorption theory under the related potential approximation (CPA) by the one-dimensional tight constrained semi-infinite binary unordered alloy model (DBA) developed by Sulston et al. CoRu, RuNi and RuCu alloy surface adsorption energy calculations to discuss the stability of CO chemical adsorption of the above three alloys surface. The results show that: (1) the chemisorption stability of CO on the surface of CoRu alloy decreases with the increase of Ru content, and changes approximately linearly. (2) The chemisorption of CO on the surface of RuNi alloy is stable when the content of Ru is less than 20% Sex increases with increasing Ru content. When the Ru content is more than 20% and continues to increase, the adsorption stability shows a weakening tendency; the adsorption is the most stable when the content of Ru and Ni is 28. (3) When the chemical adsorption of CO on the surface of RuCu, the corresponding ratio of Ru to Cu content of 64 has a maximum negative chemical adsorption, indicating that CO chemisorption at this time the most stable.