globalchange  > 气候变化与战略
DOI: 10.1016/j.scib.2020.03.021
论文题名:
Synergistic trifunctional electrocatalysis of pyridinic nitrogen and single transition-metal atoms anchored on pyrazine-modified graphdiyne
作者: Qi S.; Wang J.; Song X.; Fan Y.; Li W.; Du A.; Zhao M.
刊名: Science Bulletin
ISSN: 20959273
出版年: 2020
卷: 65, 期:12
起始页码: 995
结束页码: 1002
语种: 英语
中文关键词: 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
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
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资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/170013
Appears in Collections:气候变化与战略

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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

Recommended Citation:
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]. Science Bulletin,2020-01-01,65(12)
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