2012 Fiscal Year Final Research Report
Theoretical study on property of aqueous solution and electrochemical process at nano-space
| Project/Area Number |
21244045
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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 |
Condensed matter physics I
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| Research Institution | Tohoku University |
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Principal Investigator |
TSUKADA Masaru 東北大学, 原子分子材料科学高等研究機構, 特任教授 (90011650)
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| Co-Investigator(Kenkyū-buntansha) |
AKAGI Kazuto 東北大学, 原子分子材料科学高等研究機構, 准教授 (50313119)
TAMURA Hiroyuki 東北大学, 原子分子材料科学高等研究機構, 助教 (60390655)
HAMADA Ikutaro 東北大学, 原子分子材料科学高等研究機構, 助教 (80419465)
MASAGO Akira 大阪大学, 基礎工学研究科, 特任研究員 (70510551)
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| Co-Investigator(Renkei-kenkyūsha) |
ARAIDAI Masaaki 筑波大学, 計算科学研究センター, 研究員 (20537427)
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| Project Period (FY) |
2009 – 2012
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| Keywords | 表面 / 界面 / 固液界面 |
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| Research Abstract |
Structure and dynamics of aqueous electrolyte solution at the solid-liquid interface was investigated based on various molecular simulation methods. Microscopic understanding on typical space and time scale of interfacial systems, behavior of ionic species in a hydrogen-bond network and the origin of electric double layer structure were given. Hydrogen evolution processes at an “acid solution / Pt electrode" interface were quantitatively evaluated taking account of the effect of electrode potential. Theoretical frameworks to treat the electron transfer process across the interface induced by photo excitation or applied electric field were developed.
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