| Budget Amount *help |
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2017: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2016: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2015: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
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| Outline of Final Research Achievements |
Though first-principles simulation researches on electrochemical phenomena increase in these days, the applied methods have not taken into account several crucial properties yet. The examples are space-charge layer in semiconductor interface with solution, ion transport across the interfaces etc. To deal with these properties and make a comprehensive elucidation, we have addressed (1) method development for interfacial electron-hole carriers as well as ions, and (2) first-principles calculation analyses of the issues associated with those “charged” bodies as well as comparison between the space-charge layer and electric double layer. Then, we elucidated many novel aspects on the behaviors of electron-hole carriers and ions at the interfaces and made a certain progress in the development. The obtained insights will be useful for future improvement of the efficiency of catalysts and batteries.
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