| CO在双金属催化剂上的化学吸附 |
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| 引用本文： | 孙建军,张涛.CO在双金属催化剂上的化学吸附[J].河南师范大学学报(自然科学版),1992,20(1):35-39. |
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| 作者姓名： | 孙建军 张涛 |
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| 作者单位： | 河南师范大学物理系，河南师范大学物理系 |
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| 摘 要： | 本文用Anderson-Newns模型及一维紧束缚近似,研究了CO在双金属催化剂Pd/Cu上的化学吸附.通过对CO-Cu及CO-Pd/Cu两个不同吸附系统的电荷转移和化学吸附能的计算比较,结果表明,由于Pd在Cu上的覆盖,改变了CO和衬底之间的电荷流向,从而加强了对CO的吸附作用,改善了催化剂对CO的催化性能.
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| 关 键 词： | 双金属催化剂 格林函数 轨道占有数 化学吸附能 |
CHEMISORPTION OF CO ON BIMETALLIC CATALYST |
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| Sun Jian jun Zhang Tao.CHEMISORPTION OF CO ON BIMETALLIC CATALYST[J].Journal of Henan Normal University(Natural Science),1992,20(1):35-39. |
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| Authors: | Sun Jian jun Zhang Tao |
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| Institution: | Department of Physics |
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| Abstract: | The chemisorption prorerties of co on bimtallic catalyst-Pd/Cu are investigated theoretically. The Anderson-Newns model is-used and the one-dimensional tight-binding approximation employed.-It is showed that the trends of the charge transfer between CO and-the substrate are changed due to the covering of pd on Cu,-and that the binding energy of CO for Pd / Cu is stronger than-for bulk Cu. |
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| Keywords: | bimetallic catalyst Green'Function orbital- occupied number chemisorption energy |
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