Defect-Structure Modeling of Layered Oxide-Based Ionic Conductors by Diffraction and Total Scattering Measurements and Theoretical Calculation
| Project/Area Number |
15K18215
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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
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| Research Institution | Tokyo University of Science |
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Principal Investigator |
KITAMURA Naoto 東京理科大学, 理工学部工業化学科, 講師 (10453812)
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| Project Period (FY) |
2015-04-01 – 2017-03-31
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| Project Status |
Completed (Fiscal Year 2016)
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| Budget Amount *help |
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2016: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2015: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
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| Keywords | 酸化物イオン伝導体 / 欠陥 / 2体分布関数 / 逆モンテカルロ法 / 第一原理計算 / 全散乱 / 理論計算 |
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| Outline of Final Research Achievements |
This work focused on oxide-ion conductors with a layered structure as an electrolyte of the solid oxide fuel cell, and analyzed Bragg profiles and pair distribution functions obtained by diffraction and total scattering measurements in order to uncover distribution of charge carrier defects such as interstitial oxygen. The analytical results on LaSrGa3O7-based materials clarified that interstitial oxygens tended to be trapped by La. In addition, the analytical accuracy could be improved by the support of the first-principles calculation.
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Report
(3 results)
Research Products
(8 results)
