| Project/Area Number |
16K05755
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Functional solid state chemistry
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| Research Institution | Osaka Prefecture University |
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Principal Investigator |
Matsubara Hiroshi 大阪府立大学, 理学(系)研究科(研究院), 教授 (20239073)
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| Project Period (FY) |
2016-04-01 – 2020-03-31
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| Project Status |
Completed (Fiscal Year 2019)
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| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2018: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2017: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2016: ¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
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| Keywords | 有機二次電池 / 正極活物質 / ベンゾキノン / リチウムイオン電池 / DFT計算 / 有機正極活物質 / 二次電池 |
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| Outline of Final Research Achievements |
In order to invent novel highly efficient batteries that show several times larger energy densities than those of usual inorganic lithium ion batteries, benzoquinone oligomers have been prepared and evaluated as cathode active materials for lithium ion batteries. BBQ, which is a BQ dimer, was synthesized, revealing that BBQ is superior to BQ as a cathode active material. Various BBQ derivatives were then synthesized to evaluate their properties as cathode active materials. As the results, BBQ with methoxy group improved cyclability of the batteries while bridged BQ and trimer of BQ revealed lower efficiency than BBQ. Finally, strong correlation was found between LUMO of BQ and BBQ derivatives, which is calculated by DFT method, and output voltages of the batteries in which the derivatives worked as cathode active materials.
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| Academic Significance and Societal Importance of the Research Achievements |
有機二次電池は重金属を使わないことから、環境負荷が小さく資源問題も発生しづらい次世代の電池である。本研究によりベンゾキノンを二量化したBBQが有機二次電池の正極活物質として優れていることが判明した。BBQは実用的な有機二次電池正極材料の有力な候補と言えよう。また、計算により見積もった活物質の軌道準位と電池の出力電位との間に強い相関があることを見出した。本研究は高性能有機正極活物質開発の端緒を開くととともに、活物質の構造と電池性能に関する理論的な指標の構築に寄与できたと考えられる。
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