2011 Fiscal Year Final Research Report
第一原理計算による安全、低コスト元素を用いた透明伝導体の開発
| Project/Area Number |
20613002
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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 |
Element strategy
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| Research Institution | National Institute of Advanced Industrial Science and Technology (2009-2011)
The University of Tokyo (2008) |
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Principal Investigator |
NAKAMURA Hisao 独立行政法人産業技術総合研究所, ナノシステム研究部門, 研究員 (30345095)
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| Project Period (FY) |
2009 – 2011
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| Keywords | 元素戦略 / 計算化学 / 第一原理計算 / 材料科学 |
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| Research Abstract |
In this study, we developed first principles theory for material design, in particular, analysis of the relation between doping techniques and new electronic device property in the view of chemical-bond theory. To apply our simulation method to designing alternative material of rare-metal system based, we focused on Nb-doped TiO2, which is one of the most promising alternative material for ITO transparent electrodes.
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