Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces
文献类型：期刊论文
| 作者 | Schiros, T ; Ogasawara, H ; Naslund, LA ; Andersson, KJ ; Ren, J ; Meng, S ; Karlberg, GS ; Odelius, M ; Nilsson, A ; Pettersson, LGM |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2010 |
| 卷号 | 114期号:22页码:10240 |
| 关键词 | RAY-EMISSION SPECTROSCOPY DENSITY-FUNCTIONAL THEORY INITIO MOLECULAR-DYNAMICS NEAR-AMBIENT CONDITIONS AB-INITIO DISSOCIATIVE ADSORPTION CORRELATION-ENERGY CLUSTERS (H2O)(N) CU(110) SURFACE ELECTRON-GAS |
| ISSN号 | 1932-7447 |
| 通讯作者 | Pettersson, LGM: Stockholm Univ, FYSIKUM, AlbaNova Univ Ctr, S-10691 Stockholm, Sweden. |
| 中文摘要 | We examine the balance of surface bonding and hydrogen bonding in the mixed OH + H(2)O overlayer on Pt(111), Cu(111), and Cu(110) via density functional theory calculations. We find that there is a cooperativity effect between surface bonding and hydrogen bonding that underlies the stability of the mixed phase at metal surfaces. The surface bonding can be considered to be similar to accepting a hydrogen bond, and we can thereby apply general cooperativity rules developed for hydrogen-bonded systems. This provides a simple understanding of why water molecules become more strongly bonded to the surface upon hydrogen bonding to OH and why the OH surface bonding is instead weakened through hydrogen bonding to water. We extend the application of this simple model to other observed cooperativity effects for pure water adsorption systems and H(3)O(+) on metal surfaces. |
| 收录类别 | SCI |
| 资助信息 | Office of Basic Energy Sciences, U.S. Department of Energy; Swedish Research Council; Wenner-Gren Foundations; Advanced Light Source; Swedish National Supercomputer Center and the Center |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/35182]  |
| 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 | Schiros, T,Ogasawara, H,Naslund, LA,et al. Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2010,114(22):10240. |
| APA | Schiros, T.,Ogasawara, H.,Naslund, LA.,Andersson, KJ.,Ren, J.,...&Pettersson, LGM.(2010).Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces.JOURNAL OF PHYSICAL CHEMISTRY C,114(22),10240. |
| MLA | Schiros, T,et al."Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces".JOURNAL OF PHYSICAL CHEMISTRY C 114.22(2010):10240. |
入库方式： OAI收割
来源：物理研究所
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