Recent progress in theoretical and computational investigations of structural stability and activity of single-atom electrocatalysts

doi:10.1016/j.pnsc.2019.04.004

	Recent progress in theoretical and computational investigations of structural stability and activity of single-atom electrocatalysts
	Wang, Youwei; Song, Erhong; Qiu, Wujie; Zhao, Xiaolin; Zhou, Yao; Liu, Jianjun; Zhang, Wenqing
刊名	PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL
	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
内容类型	期刊论文
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.