气候变化领域集成服务门户(CCPortal): Synergistic trifunctional electrocatalysis of pyridinic nitrogen and single transition-metal atoms anchored on pyrazine-modified graphdiyne

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DOI	10.1016/j.scib.2020.03.021
	Synergistic trifunctional electrocatalysis of pyridinic nitrogen and single transition-metal atoms anchored on pyrazine-modified graphdiyne
	Qi S.; Wang J.; Song X.; Fan Y.; Li W.; Du A.; Zhao M.
发表日期	2020
ISSN	20959273
起始页码	995
结束页码	1002
卷号	65 期号:12
英文摘要	Multifunctional catalysts that integrate high efficiency hydrogen evolution reaction (HER), oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) catalytic activity in a single material are attractive for unitized regenerative fuel cells and overall water splitting technologies. As the best-known HER and ORR electrocatalysts, Pt and its alloys have only moderate OER activity. Ruthenium and iridium oxides exhibit the highest OER activities but not as active as Pt for HER and ORR. Here, we proposed a general principle for achieving trifunctional electrocatalysis for three reactions in a single material. Using the newly-synthesized pyrazine-modified graphdiyne (PR-GDY) as an example, we demonstrated that the synergistic effect of the pyridinic nitrogen and anchored transition-metal (TM) single atoms renders highly-efficient HER/OER/ORR trifunctional electrocatalytic activity. For the Ni-doped PR-GDY, the overpotentials for HER, OER and ORR can be respectively as low as −0.05, 0.29 and 0.38 V, which are comparable or even superior to the best-known single-functional and bi-functional precious electrocatalysts. These computational results offer not only a promising trifunctional electrocatalyst but also a strategy for the design of multifunctional electrocatalysts. © 2020 Science China Press
关键词	Density-functional theory Pyrazine-modified graphdiyne (PR-GDY)Single atoms Trifunctional electrocatalysts
英文关键词	Atoms; Catalysis; Catalyst activity; Computation theory; Density functional theory; Electrocatalysis; Electrocatalysts; Electrolysis; Electrolytic reduction; Hydrogen evolution reaction; Iridium compounds; Nitrogen; Oxygen; Oxygen evolution reaction; Platinum alloys; Regenerative fuel cells; Ruthenium compounds; Transition metals; Computational results; Electrocatalytic activity; Graphdiyne; Multifunctional catalysts; ORR electrocatalysts; Oxygen evolution reaction (oer); Single atoms; Transition metal atoms; Oxygen reduction reaction
语种	英语
来源期刊	Science Bulletin
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/207157
作者单位	School of Physics & State Key Laboratory of Crystal Materials, Shandong University, Jinan, 250100, China; School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, Gardens Point Campus, QLD 4001 Brisbane, Australia
推荐引用方式 GB/T 7714	Qi S.,Wang J.,Song X.,et al. Synergistic trifunctional electrocatalysis of pyridinic nitrogen and single transition-metal atoms anchored on pyrazine-modified graphdiyne[J],2020,65(12).
APA	Qi S..,Wang J..,Song X..,Fan Y..,Li W..,...&Zhao M..(2020).Synergistic trifunctional electrocatalysis of pyridinic nitrogen and single transition-metal atoms anchored on pyrazine-modified graphdiyne.Science Bulletin,65(12).
MLA	Qi S.,et al."Synergistic trifunctional electrocatalysis of pyridinic nitrogen and single transition-metal atoms anchored on pyrazine-modified graphdiyne".Science Bulletin 65.12(2020).