Recent progress in theoretical and computational investigations of structural stability and activity of single-atom electrocatalysts
文献类型：期刊论文
| 作者 | Wang, Youwei; Song, Erhong; Qiu, Wujie; Zhao, Xiaolin; Zhou, Yao; Liu, Jianjun; Zhang, Wenqing |
| 刊名 | PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL
 |
| 出版日期 | 2019-06-01 |
| 卷号 | 29期号:3页码:256 |
| ISSN号 | 1002-0071 |
| DOI | 10.1016/j.pnsc.2019.04.004 |
| 文献子类 | Review |
| 英文摘要 | This review has been made an attempt to seek some observed descriptors to comprehensively optimize structural stability and catalytic activity of single-atom catalysts. Electronic structure analysis can reveal the underlying mechanisms of atomic phy-chemical properties and local coordination structures on binding strength. The free electrons around Fermi level play an important role to determine the binding strength, which can be further influenced by electronegativity difference between single atom and nearby support atoms. This investigation can contribute to understanding the underlying mechanisms for the design of stable and active catalysts, and further provide a deep insight to the potential pathways in the research field of single-atom catalysts. |
| WOS研究方向 | Materials Science ; Science & Technology - Other Topics |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE INC |
| 源URL | [http://ir.sic.ac.cn/handle/331005/27066]  |
| 专题 | 中国科学院上海硅酸盐研究所 |
| 推荐引用方式 GB/T 7714 | Wang, Youwei,Song, Erhong,Qiu, Wujie,et al. Recent progress in theoretical and computational investigations of structural stability and activity of single-atom electrocatalysts[J]. PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL,2019,29(3):256. |
| APA | Wang, Youwei.,Song, Erhong.,Qiu, Wujie.,Zhao, Xiaolin.,Zhou, Yao.,...&Zhang, Wenqing.(2019).Recent progress in theoretical and computational investigations of structural stability and activity of single-atom electrocatalysts.PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL,29(3),256. |
| MLA | Wang, Youwei,et al."Recent progress in theoretical and computational investigations of structural stability and activity of single-atom electrocatalysts".PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL 29.3(2019):256. |
入库方式： OAI收割
来源：上海硅酸盐研究所
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