Dynamical properties and the proton transfer mechanism in the wetting water layer on Pt(111)
文献类型：期刊论文
| 作者 | Meng, S |
| 刊名 | SURFACE SCIENCE
 |
| 出版日期 | 2005 |
| 卷号 | 575期号:3页码:300 |
| 关键词 | ENERGY ELECTRON-DIFFRACTION DENSITY-FUNCTIONAL THEORY MOLECULAR-DYNAMICS AQUEOUS-SOLUTION ICE SURFACES PSEUDOPOTENTIALS NAPHTHALENE TRANSITION CRYSTALS |
| ISSN号 | 0039-6028 |
| 通讯作者 | Meng, S: Univ Gothenburg, SE-41296 Gothenburg, Sweden. |
| 中文摘要 | We have investigated the structural properties and the dynamics in the (root39 x root39)R16.1degrees (RT39) wetting layer on Pt(111) found in recent experiments, by ab initio molecular dynamics simulations. The RT39 bilayer is found to consist of 20% water molecules in the first flat layer, and 66% in the second layer, and a small fraction extending further away. Two-dimensional pair correlation functions are obtained, and calculated vibration spectra are in agreement with experiment. A small fraction of water in this RT39 bilayer dissociates due to both the lateral compression and the substrate effect. Most interestingly, surface mediated proton transfer mechanism in water layers at surface, which differs from the counterparts in bulk water, is discovered. (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/311004/36277]  |
| 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. Dynamical properties and the proton transfer mechanism in the wetting water layer on Pt(111)[J]. SURFACE SCIENCE,2005,575(3):300. |
| APA | Meng, S.(2005).Dynamical properties and the proton transfer mechanism in the wetting water layer on Pt(111).SURFACE SCIENCE,575(3),300. |
| MLA | Meng, S."Dynamical properties and the proton transfer mechanism in the wetting water layer on Pt(111)".SURFACE SCIENCE 575.3(2005):300. |
入库方式： OAI收割
来源：物理研究所
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