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

doi:10.1016/j.pnsc.2019.04.004

SIC OpenIR

	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
	2019-06-01
Source Publication	PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL
ISSN	1002-0071
Volume	29 Issue:3 Pages:256
Subtype	Review
Abstract	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.
DOI	10.1016/j.pnsc.2019.04.004
Language	英语
WOS Research Area	Materials Science ; Science & Technology - Other Topics
Publisher	ELSEVIER SCIENCE INC
Citation statistics	Cited Times:4[WOS] [WOS Record] [Related Records in WOS]
Document Type	期刊论文
Identifier	http://ir.sic.ac.cn/handle/331005/27066
Collection	中国科学院上海硅酸盐研究所
Recommended Citation 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.

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