Influence of PtMo structure and composition on the adsorption energies, adsorption site and vibrational frequency of carbon monoxide
文献类型：期刊论文
| 作者 | Z. Ji ; A. F. Jalbout ; J. Q. Li |
| 刊名 | Chinese Journal of Structural Chemistry
 |
| 出版日期 | 2007 |
| 卷号 | 26期号:7页码:843-849 |
| 关键词 | density functional calculations adsorption molybdenum platinum carbon monoxide bimetallic surfaces molecular-dynamics co oxidation plane-wave mo(110) dissociation surfaces methanol metals |
| ISSN号 | 0254-5861 |
| 中文摘要 | Density functional theory periodic slab calculations were carried out for CO adsorption on a series of Mo modified Pt(111) surfaces to provide an insight into the interaction between CO and doped metal surface, an important issue in CO oxidation as well as in promotion and poisoning effects of catalysis. The modification of adsorption properties with respect to those of adsorption on the pure Mo(110) and Pt(111) is described in terms of changes in the adsorption energies, adsorption sites and vibrational properties occurring upon alloying. We believe that the present DFT calculations can provide important information into optimal alloy composition for CO-tolerance, which is not easily obtained by experimental methods. |
| 语种 | 英语 |
| 公开日期 | 2013-04-01 |
| 源URL | [http://ir.fjirsm.ac.cn/handle/350002/6344]  |
| 专题 | 福建物质结构研究所_中科院福建物质结构研究所_期刊论文 |
| 推荐引用方式 GB/T 7714 | Z. Ji,A. F. Jalbout,J. Q. Li. Influence of PtMo structure and composition on the adsorption energies, adsorption site and vibrational frequency of carbon monoxide[J]. Chinese Journal of Structural Chemistry,2007,26(7):843-849. |
| APA | Z. Ji,A. F. Jalbout,&J. Q. Li.(2007).Influence of PtMo structure and composition on the adsorption energies, adsorption site and vibrational frequency of carbon monoxide.Chinese Journal of Structural Chemistry,26(7),843-849. |
| MLA | Z. Ji,et al."Influence of PtMo structure and composition on the adsorption energies, adsorption site and vibrational frequency of carbon monoxide".Chinese Journal of Structural Chemistry 26.7(2007):843-849. |
入库方式： OAI收割
来源：福建物质结构研究所
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