Trends and Regularities for Halogen Adsorption on Various Metal Surfaces
文献类型：期刊论文
| 作者 | Zhu, Quanxi; Wang, Shao-qing |
| 刊名 | JOURNAL OF THE ELECTROCHEMICAL SOCIETY
 |
| 出版日期 | 2016 |
| 卷号 | 163期号:9页码:H796-H808 |
| ISSN号 | 0013-4651 |
| DOI | 10.1149/2.0821609jes |
| 通讯作者 | Zhu, Quanxi(qxzhu11s@imr.ac.cn) |
| 英文摘要 | Work function changes induced by adsorbates play an important role in electrochemistry, where specially adsorbed ions directly influence the electrode potential through this parameter. Systematic density functional theory calculations were performed for fluorine, chlorine, bromine, and iodine adsorption on 29 close-packed metal surfaces. Through a large number of calculations, it was shown that similar geometry adsorption sites have very good linear relationships in terms of adsorption energies, the vertical distances between halogen atoms and the metal surfaces, the Bader net charges of the adsorbates, and the induced work function changes. Additionally, there is a linear relationship between bromine and chlorine for these surface properties. The fact that nearly half of the cases we investigated exhibit the work function decrease behavior indicates its generality in halogens adsorption situations. (C) 2016 The Electrochemical Society. All rights reserved. |
| 资助项目 | National Key Basic Research Program of China (973)[2011CB606403] ; National Natural Science Foundation of China[51471164] ; Chinese Academy of Sciences[INFO-115-B01] ; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund |
| WOS研究方向 | Electrochemistry ; Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000388988100120 |
| 出版者 | ELECTROCHEMICAL SOC INC |
| 资助机构 | National Key Basic Research Program of China (973) ; National Natural Science Foundation of China ; Chinese Academy of Sciences ; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund |
| 源URL | [http://ir.imr.ac.cn/handle/321006/123214]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Zhu, Quanxi |
| 作者单位 | Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhu, Quanxi,Wang, Shao-qing. Trends and Regularities for Halogen Adsorption on Various Metal Surfaces[J]. JOURNAL OF THE ELECTROCHEMICAL SOCIETY,2016,163(9):H796-H808. |
| APA | Zhu, Quanxi,&Wang, Shao-qing.(2016).Trends and Regularities for Halogen Adsorption on Various Metal Surfaces.JOURNAL OF THE ELECTROCHEMICAL SOCIETY,163(9),H796-H808. |
| MLA | Zhu, Quanxi,et al."Trends and Regularities for Halogen Adsorption on Various Metal Surfaces".JOURNAL OF THE ELECTROCHEMICAL SOCIETY 163.9(2016):H796-H808. |
入库方式： OAI收割
来源：金属研究所
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