2010 Fiscal Year Final Research Report
Structure control of highly functional oxides by thermodynamic measurement, local structure analysis and quantum chemical method
| Project/Area Number |
20560631
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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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 |
YASUSHI Idemoto Tokyo University of Science, 理工学部・工業化学科, 教授 (20213027)
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| Co-Investigator(Renkei-kenkyūsha) |
KITAMURA Naoto 東京理科大学, 理工学部・工業化学科, 助教 (10453812)
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| Project Period (FY) |
2008 – 2010
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| Keywords | リチウムイオン電池 / 強誘電体 / 結晶構造 / 熱力学データ / 第一原理計算 / 電子構造 / 機能性酸化物 / 中性子 |
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| Research Abstract |
We investigated the important thermodynamic stability and crystal structure for an object of highly functional oxides, such as the cathode active material for lithium ion battery and ferroelectric material for FeRAM, We are also the first to analyze local structure of the bulk sample by Pair Distribution Function (PDF) technique using neutron source. It was found that local structure and thermodynamic stability explained well the observed electrode and ferroelectric properties. Moreover, it is obtained excellent results that is possible to perform a new ex situ analysis of the change in the crystal structure in a coin cell during charge process.
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