A molecular picture of hydrophilic and hydrophobic interactions from ab initio density functional theory calculations
文献类型：期刊论文
| 作者 | Meng, S ; Wang, EG ; Gao, SW |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2003 |
| 卷号 | 119期号:15页码:7617 |
| 关键词 | ICE FILMS WATER PT(111) ADSORPTION DYNAMICS SURFACES SIMULATION KINETICS |
| ISSN号 | 0021-9606 |
| 通讯作者 | Meng, S: Chalmers Univ Technol, Dept Appl Phys, SE-41296 Gothenburg, Sweden. |
| 中文摘要 | A molecular picture of hydrophilic and hydrophobic interactions, which ubiquitously exist in nature, has been proposed based on ab initio density functional study of water at two prototype metal (Pt and Au) surfaces. We demonstrate that the hydrophilicity-hydrophobicity can be characterized by the water-surface coupling and the strength of the hydrogen bond at the interfaces. From this picture, Pt is found to be hydrophilic while Au is hydrophobic, in agreement with experiment. The effect of the charge transfer and the long-ranged electron polarization of water on these interactions are also elaborated.(C) 2003 American Institute of Physics. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/33000]  |
| 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,Gao, SW. A molecular picture of hydrophilic and hydrophobic interactions from ab initio density functional theory calculations[J]. JOURNAL OF CHEMICAL PHYSICS,2003,119(15):7617. |
| APA | Meng, S,Wang, EG,&Gao, SW.(2003).A molecular picture of hydrophilic and hydrophobic interactions from ab initio density functional theory calculations.JOURNAL OF CHEMICAL PHYSICS,119(15),7617. |
| MLA | Meng, S,et al."A molecular picture of hydrophilic and hydrophobic interactions from ab initio density functional theory calculations".JOURNAL OF CHEMICAL PHYSICS 119.15(2003):7617. |
入库方式： OAI收割
来源：物理研究所
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