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Revealing the intrinsic relation between heteroatom dopants and graphene quantum dots as a bi-functional ORR/OER catalyst
Yang, Min1,2; Lian, Zan1,2; Si, Chaowei1,2; Jan, Faheem1,2; Li, Bo1,2
Corresponding AuthorLi, Bo(boli@imr.ac.cn)
2022
Source PublicationMOLECULAR CATALYSIS
ISSN2468-8231
Volume518Pages:5
AbstractThe dopants such as boron, nitrogen, phosphorous, and sulfur are essential for graphene quantum dots (GQDs) performance in ORR/OER process. Nevertheless, the accurate descriptions of dopant effects are still largely missing for GQDs catalyst. In this work, a relation is established between the intrinsic properties of dopants and the performance of GQDs as bi-functional catalyst in ORR/OER. The dopants break down the pi-electron network and induce spin fluctuation. It is found that the adsorption strength of key oxygen intermediates (0*, OH*, and OOH*) is well correlated with intrinsic bond strength index (IBSI). The detailed free energy pathways for both ORR and OER are presented for various doped GQDs which is used to identify the rate-limiting step and overpotential. It was proposed that pyridine nitrogen is the best dopant which yields lowest overpotential. In the end, a reactivity map is provided which enables a rational design of GQDs catalyst.
DOI10.1016/j.mcat.2021.112109
Indexed BySCI
Language英语
WOS Research AreaChemistry
WOS SubjectChemistry, Physical
WOS IDWOS:000789318800001
PublisherELSEVIER
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/172507
Collection中国科学院金属研究所
Corresponding AuthorLi, Bo
Affiliation1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China
2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Liaoning, Peoples R China
Recommended Citation
GB/T 7714
Yang, Min,Lian, Zan,Si, Chaowei,et al. Revealing the intrinsic relation between heteroatom dopants and graphene quantum dots as a bi-functional ORR/OER catalyst[J]. MOLECULAR CATALYSIS,2022,518:5.
APA Yang, Min,Lian, Zan,Si, Chaowei,Jan, Faheem,&Li, Bo.(2022).Revealing the intrinsic relation between heteroatom dopants and graphene quantum dots as a bi-functional ORR/OER catalyst.MOLECULAR CATALYSIS,518,5.
MLA Yang, Min,et al."Revealing the intrinsic relation between heteroatom dopants and graphene quantum dots as a bi-functional ORR/OER catalyst".MOLECULAR CATALYSIS 518(2022):5.
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