Meso-scale modeling of Solid Oxide Fuel Cells based on non-equilibrium first principles calculations
Project/Area Number |
22760534
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Research Category |
Grant-in-Aid for Young Scientists (B)
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Allocation Type | Single-year Grants |
Research Field |
Structural/Functional materials
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Research Institution | The University of Tokyo |
Principal Investigator |
TADA Tomofumi 東京大学, 大学院・工学系研究科, 准教授 (40376512)
|
Project Period (FY) |
2010 – 2012
|
Project Status |
Completed (Fiscal Year 2012)
|
Budget Amount *help |
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2012: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2011: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2010: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
|
Keywords | 燃料電池 / 第一原理計算 / 局所反応場 / イオン輸送 / 非平衡グリーン関数 / 燃料酸化反応 / 動的モンテカルロ / 反応経路解析 / イオン移動解析 / 三相界面 / 動的モンテカルロ計算 |
Research Abstract |
To design efficient hetero interfaces for Solid Oxide Fuel Cells, I developed a meso-scale kinetic Monte Carlo program from scratch to investigate the relationship between the interface structure of Oxide/Fuel/Electrodes and output current density. This program will enable us to calculate current density depending on the 3D complex structures of Solid Oxide Fuel Cells anode. In addition, the kinetic data of each reaction required in the kinetic Monte Carlo were successfully obtained using first principles electronic structure calculations.
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Report
(4 results)
Research Products
(35 results)