Consistent picture for the wetting structure of water/Ru(0001)
文献类型：期刊论文
| 作者 | Meng, S ; Wang, EG ; Frischkorn, C ; Wolf, M ; Gao, SW |
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2005 |
| 卷号 | 402期号:4-6页码:384 |
| 关键词 | PARTIAL DISSOCIATION MOLECULAR-DYNAMICS WATER RU(001) ADSORPTION TRANSITION |
| ISSN号 | 0009-2614 |
| 通讯作者 | Gao, SW: Chalmers Univ Technol, Dept Appl Phys, Soliden 3037, SE-41296 Gothenburg, Sweden. |
| 中文摘要 | The wetting layer of DO on Ru(000 1) has been reanalyzed with ab initio molecular dynamics and full-potential calculation. The work function change induced by DO overlayers clearly favors the picture of molecular wetting rather than partial dissociation and suggests a mixed structure consisting of both hydrogen-up and hydrogen-down bilayers. This is further supported by the vibrational spectra, where agreement is only found for the intact overlayers but not for a half-dissociated overlayer. The larger barrier for dissociation in comparison with that for desorption suggests that dissociation is kinetically forbidden at low temperatures. These findings resolve the current controversy between previous calculations and experiments. (C) 2004 Elsevier B.V. All rights reserved. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/35054]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Meng, S,Wang, EG,Frischkorn, C,et al. Consistent picture for the wetting structure of water/Ru(0001)[J]. CHEMICAL PHYSICS LETTERS,2005,402(4-6):384. |
| APA | Meng, S,Wang, EG,Frischkorn, C,Wolf, M,&Gao, SW.(2005).Consistent picture for the wetting structure of water/Ru(0001).CHEMICAL PHYSICS LETTERS,402(4-6),384. |
| MLA | Meng, S,et al."Consistent picture for the wetting structure of water/Ru(0001)".CHEMICAL PHYSICS LETTERS 402.4-6(2005):384. |
入库方式： OAI收割
来源：物理研究所
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