| Project/Area Number |
17K17717
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Inorganic materials/Physical properties
Structural/Functional materials
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| Research Institution | Tokyo Institute of Technology |
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Principal Investigator |
Niwa Eiki 東京工業大学, 理学院, 特任助教 (10707962)
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| Project Period (FY) |
2017-04-01 – 2019-03-31
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| Project Status |
Completed (Fiscal Year 2018)
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| Budget Amount *help |
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2018: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2017: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
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| Keywords | 酸化物イオン伝導体 / 結晶構造解析 / 電気伝導度 / イオン伝導経路 / 結合原子価法 / SOFC / イオン伝導体 / 密度汎関数理論計算 / 固体化学 / 固体イオニクス / 燃料電池 |
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| Outline of Final Research Achievements |
Developments of solid oxide-ion conductors have led to various energy and environmental technologies such as solid oxide fuel cells, oxygen separation membranes and gas censors. We have explored new structural-type oxide-ion conductors using the bond valence-based energy (BVE) and functional density theory (DFT) calculations. Some oxides were picked up as candidate materials for oxide-ion conductors. These oxides were prepared with solid state reaction method and their characters such as the crystal structure and electrical conductivity were investigated. Optimal dopants of target oxide-ion conductors were also explored and the enhancement of their oxide-ion conductivity was tried. We discovered several kinds of new structure-type oxide-ion conductors using computational chemistry approach and experiments.
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| Academic Significance and Societal Importance of the Research Achievements |
結合原子価に基づくエネルギー(BVE)計算は、計算手順が単純で１つの結晶構造データ当たりの計算時間が非常に短い。数多く報告されている酸化物の結晶構造データから高いイオン伝導度を有する酸化物をピックアップするのに適している。このイオン伝導体の探索法が開拓できれば、新たなイオン伝導体を効率よく探索できると考えられる。さらに、導電種が酸化物イオンや酸素欠損ではなく、他のイオン伝導体にも活用させることができ、電気化学デバイスの開発に大きな波及効果があると考えられる。
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