Material design to control lattice defects in hydrogen storagealloys
| Project/Area Number |
22560697
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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 |
Structural/Functional materials
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| Research Institution | Osaka University |
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Principal Investigator |
MIZUNO Masataka 大阪大学, 大学院・工学研究科, 准教授 (50324801)
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| Project Period (FY) |
2010 – 2012
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| Project Status |
Completed (Fiscal Year 2012)
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| Budget Amount *help |
¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000)
Fiscal Year 2012: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2011: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2010: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Keywords | 格子欠陥 / 水素吸蔵合金 / 原子空孔 / 化学結合状態 / 第一原理計算 / 空孔 |
|---|
| Research Abstract |
Hydrogen storage capacity of LaNi_5is decreased by lattice defects introduced during hydrogen absorption process. We have performed first-principles calculations to evaluate the stability of vacancies in LaNi_5. Our calculated results show that vacancies are energetically stabilized by trapping of hydrogen atoms. Addition of Sn reduces the stability of vacancies because of the repulsive force between Sn and H atoms.
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Report
(4 results)
Research Products
(9 results)
