| Project/Area Number |
23KF0102
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| Research Category |
Grant-in-Aid for JSPS Fellows
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| Allocation Type | Multi-year Fund |
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| Section | 外国 |
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| Review Section |
Basic Section 34030:Green sustainable chemistry and environmental chemistry-related
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| Research Institution | Tohoku University |
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Principal Investigator |
LI HAO 東北大学, 材料科学高等研究所, 准教授 (50967198)
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| Co-Investigator(Kenkyū-buntansha) |
WANG TIANYI 東北大学, 材料科学高等研究所, 外国人特別研究員
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| Project Period (FY) |
2023-07-26 – 2025-03-31
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| Project Status |
Granted (Fiscal Year 2023)
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| Budget Amount *help |
¥2,000,000 (Direct Cost: ¥2,000,000)
Fiscal Year 2024: ¥1,000,000 (Direct Cost: ¥1,000,000)
Fiscal Year 2023: ¥1,000,000 (Direct Cost: ¥1,000,000)
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| Keywords | Catalysis theory / Electrocatalysis / First principle / Surface state analysis / Metal disulfide / Iron disulfide / Nitrogen reduction / Ammonia synthesis |
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| Outline of Research at the Start |
This project will unravel the reaction mechanism of magnetic FeS2 for electrocatalytic ammonia synthesis and provide new design guidelines based on theoretical calculations and catalytic modeling.
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| Outline of Annual Research Achievements |
At the current stage of the research, we have identified the origin of the electrocatalytic nitrogen reduction reaction (eNRR) activities of typical transition metal disulfides (TMS2), especially iron disulfide (FeS2). Interestingly, we found that under eNRR operating conditions, the formation of S vacancy becomes easy, which in turn acts as the highly active site for eNRR. These findings are in good agreement with the typical experimental observations reported to date. Our current stage has successfully completed the main plans of the proposal. Besides, we also provided mechanistic understandings for other catalysis such as oxygen reduction reaction (ORR), CO2 reduction reaction (CO2RR), and photocatalysis.
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| Current Status of Research Progress |
Current Status of Research Progress
1: Research has progressed more than it was originally planned.
Reason
In the previous proposal, we planned to analyze the eNRR activity origin of FeS2 and its derivatives throughout the two years. We now have finished most of this proposed research in advance in the first year and also have expanded the analysis from FeS2 to other typical TMS2 materials, with the progress much more successful than our original plan. In addition to studying eNRR, we also further studied the structure-performance relationships of some transition metal X-ides (e.g., ZrO2 and SnOx) in ORR and CO2RR, showing that our proposed analytical workflow for eNRR can also work well for analyzing the origin of the activities of ORR and CO2RR. This successfully shows that our proposed analytical framework is general.
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| Strategy for Future Research Activity |
Keeping the original plan but expanding it to a much wider scope, we will further analyze the magnetic effects of TMS2 and other transition metal X-ides on the electrocatalysis performance, in particular for eNRR. We will analyze the doping effects on FeS2 for eNRR. Besides, we will try to analyze the magnetic effects on transition metal X-ides (e.g., sulfides, oxides, nitrides, and carbides) for a wider range of electrocatalytic reactions, and propose reliable design guidelines for high-performance electrocatalysts based on the observed magnetic effects at transition metal X-ides. We will compare our analyzed results with available experimental observations.
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