2013 Fiscal Year Final Research Report
Theory and computational method of interfacial sum frequency generation spectrosocpy
| Project/Area Number |
21245002
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| Research Category |
Grant-in-Aid for Scientific Research (A)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | Tohoku University |
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Principal Investigator |
MORITA Akihiro 東北大学, 理学(系)研究科(研究院), 教授 (70252418)
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| Co-Investigator(Renkei-kenkyūsha) |
ISHIYAMA Tatsuya 東北大学, 大学院・理学研究科, 助教 (10421364)
SHIRATORI Kazuya 東北大学, 大学院・理学研究科, COE フェロー (10507908)
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| Project Period (FY) |
2009-05-11 – 2014-03-31
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| Keywords | 和周波発生分光 / 分子動力学シミュレーション / 分子モデリング / 電解質水溶液 / 界面 |
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| Research Abstract |
We have proposed the theory and computational methods of vibrational sum frequency generation spectroscopy. We further advanced the theory including quadrupole and local field effects, and applied the sophisticated theory and computation to various liquid interfaces, such as water, electrolyte aqueous solutions, and organic liquid surfaces. The detailed structure of interfaces have been revealed with the help of SFG theory and molecular dynamics simulation.
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