Design of Effective Graphene with the TM/O Moiety for the Oxygen Electrode Reaction

doi:10.1021/acsaem.9b01457

SIC OpenIR

	Design of Effective Graphene with the TM/O Moiety for the Oxygen Electrode Reaction
	Xiao, BB; Liu, HY; Yang, L; Song, EH; Jiang, XB; Jiang, Q
	2020
Source Publication	ACS APPLIED ENERGY MATERIALS
ISSN	2574-0962
Issue	1 Pages:260
Subtype	Article
Abstract	Development of effective bifunctional electrocatalysts for the oxygen electrode reaction is desirable. In this work, the electrocatalytic performance of transition metals and oxygen (TM/O) codecorated graphene is evaluated by density functional theory calculations. The outstanding NiO2-pen moiety (a NiO2C2 structure with O atoms in the pentatomic ring) is screened out due to its low overpotential and good stability. Furthermore, the results indicate that the catalytic activity of TM/O sites is inversely correlated with the binding energy E-b. The enhanced E-b weakens the adsorption ability and decreases the corresponding overpotentials. Our finding provides a rational strategy to design functional carbonbased electrocatalysts.
DOI	10.1021/acsaem.9b01457
WOS Keyword	REDUCTION REACTION ; TRANSITION-METALS ; ELECTROCHEMICAL REDUCTION ; RATIONAL DESIGN ; COHESIVE ENERGY ; CATALYSTS ; EVOLUTION ; SURFACE ; SINGLE ; ELECTROCATALYSTS
Language	英语
WOS Research Area	Chemistry ; Energy & Fuels ; Materials Science
Publisher	AMER CHEMICAL SOC
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/331005/28395
Collection	中国科学院上海硅酸盐研究所
Recommended Citation GB/T 7714	Xiao, BB,Liu, HY,Yang, L,et al. Design of Effective Graphene with the TM/O Moiety for the Oxygen Electrode Reaction[J]. ACS APPLIED ENERGY MATERIALS,2020(1):260.
APA	Xiao, BB,Liu, HY,Yang, L,Song, EH,Jiang, XB,&Jiang, Q.(2020).Design of Effective Graphene with the TM/O Moiety for the Oxygen Electrode Reaction.ACS APPLIED ENERGY MATERIALS(1),260.
MLA	Xiao, BB,et al."Design of Effective Graphene with the TM/O Moiety for the Oxygen Electrode Reaction".ACS APPLIED ENERGY MATERIALS .1(2020):260.

Files in This Item:
There are no files associated with this item.

If you have any objections to this item, please fill out the form below and the administrator will contact you as soon as possible.
Content:
Email：	*
Institution:
Verification Code:	Refresh

Any comments and suggestions are welcomed.
Title:	*
Content:
Email：	*
Verification Code:	Refresh

中国科学院上海硅酸盐研究所机构知识库