Revealing the intrinsic relation between heteroatom dopants and graphene quantum dots as a bi-functional ORR/OER catalyst

doi:10.1016/j.mcat.2021.112109

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	Revealing the intrinsic relation between heteroatom dopants and graphene quantum dots as a bi-functional ORR/OER catalyst
	Yang, Min 1,2; Lian, Zan 1,2; Si, Chaowei 1,2; Jan, Faheem 1,2; Li, Bo 1,2
刊名	MOLECULAR CATALYSIS
	2022
卷号	518 页码:5
ISSN号	2468-8231
DOI	10.1016/j.mcat.2021.112109
通讯作者	Li, Bo(boli@imr.ac.cn)
英文摘要	The 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.
WOS研究方向	Chemistry
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000789318800001
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/172506]
专题	金属研究所_中国科学院金属研究所
通讯作者	Li, Bo
作者单位	1.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
推荐引用方式 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.