DICP OpenIR
Highly active and stable single iron site confined in graphene nanosheets for oxygen reduction reaction
Chen, Xiaoqi1; Yu, Liang1; Wang, Suheng2; Deng, Dehui1,2; Bao, Xinhe1
KeywordOxygen Reduction Reaction Non-precious Metals Graphene Single Iron Site Dft Calculations
Source PublicationNANO ENERGY
2017-02-01
ISSN2211-2855
DOI10.1016/j.nanoen.2016.12.056
Volume32Pages:353-358
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS KeywordINITIO MOLECULAR-DYNAMICS ; DENSITY-FUNCTIONAL THEORY ; HIGH ELECTROCATALYTIC ACTIVITY ; TOTAL-ENERGY CALCULATIONS ; AUGMENTED-WAVE METHOD ; FUEL-CELL CATHODE ; CARBON NANOTUBES ; ALKALINE-MEDIUM ; DOPED GRAPHENE ; BASIS-SET
AbstractExploring high performance non-precious metal catalysts to substitute Pt for oxygen reduction reaction (ORR) has stimulated wide research interest recently, but it remains a great challenge. Herein, we report a single iron site confined in graphene catalyst via 4N atoms, forming flat FeN4 structure in the matrix of graphene. The optimized catalyst shows a high ORR activity, almost coming up to the activity of commercial 40% Pt/C catalyst, but a significantly higher stability and tolerance to SOx, NOx and methanol with respect to 40% Pt/C. This well-defined structure provides an ideal model to study the catalytic origin of iron-based catalysts. DFT calculations indicate that the high ORR activity origins from highly dispersed and high-density coordinatively unsaturated Fe centers, and the excellent stability origins from the unique confinement of the graphene matrix via 4N atoms. This reaction can proceed easily to H2O via a four electron transfer path way on the single iron site, which is further confirmed by the experiment. This experimental and theoretical study provides a further insight into the nature of the Fe/N/C catalyst and also introduces a reference for designing high efficient catalysts in electrocatalysis.
Language英语
WOS IDWOS:000397003700043
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:82[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/169457
Collection中国科学院大连化学物理研究所
Corresponding AuthorDeng, Dehui; Bao, Xinhe
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, iChEM, State Key Lab Catalysis, Zhongshan Rd 457, Dalian 116023, Peoples R China
2.Xiamen Univ, Coll Chem & Chem Engn, iChEM, Xiamen 361005, Peoples R China
Recommended Citation
GB/T 7714
Chen, Xiaoqi,Yu, Liang,Wang, Suheng,et al. Highly active and stable single iron site confined in graphene nanosheets for oxygen reduction reaction[J]. NANO ENERGY,2017,32:353-358.
APA Chen, Xiaoqi,Yu, Liang,Wang, Suheng,Deng, Dehui,&Bao, Xinhe.(2017).Highly active and stable single iron site confined in graphene nanosheets for oxygen reduction reaction.NANO ENERGY,32,353-358.
MLA Chen, Xiaoqi,et al."Highly active and stable single iron site confined in graphene nanosheets for oxygen reduction reaction".NANO ENERGY 32(2017):353-358.
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