Adsorption and diffusion of OH on Mo modified Pt(111) surface: First-principles theory
文献类型：期刊论文
| 作者 | Z. Ji ; A. F. Jalbout ; J. Q. Li |
| 刊名 | Solid State Communications
 |
| 出版日期 | 2007-04 |
| 卷号 | 142期号:3页码:148-153 |
| ISSN号 | 0038-1098 |
| 关键词 | OH Pt(111) surface density functional theory density-functional theory total-energy calculations wave basis-set coads+ohads reaction h-2/co mixtures metal-surfaces co electrooxidation electrodes platinum |
| 中文摘要 | A first-principles study of adsorption and diffusion of OH on Pt and PtMo (111) surfaces is described. It confirms that the dissociation of water is much easier on PtMo than on pure Pt. Furthermore, we also found that OH binds most strongly at Mo atop site with adsorption energy of -3.32 eV, which is similar to 1 eV stronger than binding to the pure Pt(111) surface. OH is much more localized on the PtMo alloy surface than on pure Pt. Both the stranger bond and the higher localization of OH contribute to the enhanced fuel cell performance with PtMo electrodes compared to pure Pt. (c) 2007 Elsevier Ltd. All rights reserved. |
| 语种 | 英语 |
| 公开日期 | 2013-04-01 |
| 源URL | [http://ir.fjirsm.ac.cn/handle/350002/6342]  |
| 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. Adsorption and diffusion of OH on Mo modified Pt(111) surface: First-principles theory[J]. Solid State Communications,2007,142(3):148-153. |
| APA | Z. Ji,A. F. Jalbout,&J. Q. Li.(2007).Adsorption and diffusion of OH on Mo modified Pt(111) surface: First-principles theory.Solid State Communications,142(3),148-153. |
| MLA | Z. Ji,et al."Adsorption and diffusion of OH on Mo modified Pt(111) surface: First-principles theory".Solid State Communications 142.3(2007):148-153. |
入库方式： OAI收割
来源：福建物质结构研究所
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