Symmetry-mediated H2O diffusion on Al{100}
文献类型：期刊论文
| 作者 | J. B. Li ; Y. Li ; S. L. Zhu ; F. H. Wang |
| 刊名 | Physical Review B
 |
| 出版日期 | 2006 |
| 卷号 | 74期号:15 |
| 关键词 | synchronous-transit method molecules water chemistry surfaces pd(111) points solids |
| ISSN号 | 1098-0121 |
| 中文摘要 | Based upon the full-electron ab initio calculations, we found orientational preferences and correlation for the atop-to-atop motions of an H2O on Al{100}, which originates from the symmetry match between an H2O and the surface square lattice. We have provided theoretical evidence that the favored mechanisms can be classical hopping coupled with either the molecular flipping or in-plane reorientations, with reduced energy barriers compared to those of the simple translational motions; while quantum tunneling assisted motion is not favored for an H2O via the nearest neighbor diffusion. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/34301]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | J. B. Li,Y. Li,S. L. Zhu,et al. Symmetry-mediated H2O diffusion on Al{100}[J]. Physical Review B,2006,74(15). |
| APA | J. B. Li,Y. Li,S. L. Zhu,&F. H. Wang.(2006).Symmetry-mediated H2O diffusion on Al{100}.Physical Review B,74(15). |
| MLA | J. B. Li,et al."Symmetry-mediated H2O diffusion on Al{100}".Physical Review B 74.15(2006). |
入库方式： OAI收割
来源：金属研究所
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