2012 Fiscal Year Final Research Report
Theoretical study on nano-physics of the interfaces between the molecular bridge and the electrode surfaces
| Project/Area Number |
22510107
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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 |
Nanostructural science
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| Research Institution | Osaka University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
KASAI Hideaki 大阪大学, 工学研究科, 教授 (00177354)
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| Project Period (FY) |
2010 – 2012
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| Keywords | ナノ構造物性 / 分子性架橋 / 接合界面 / 第一原理計算 |
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| Research Abstract |
We investigated the nano-physics of the interfaces between the molecular bridge and the electrode surfaces with the aid of the first-principles simulations, and design the interface structure to developing the molecular bridge devices. In the preferred interface structure, the bridge molecule is terminated by the nitride atoms, whose coordination positions face the titanium electrode surface.
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