Unravelling the chemical reactivity concept in exchange-split infinite graphene by combined first-principles methods
| Project/Area Number |
15K21028
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Physical chemistry
Thin film/Surface and interfacial physical properties
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| Research Institution | University of Fukui |
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Principal Investigator |
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| Project Period (FY) |
2015-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Fiscal Year 2016: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2015: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
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| Keywords | 磁気 / 第一原理計算 / 強磁性体金属 / グラフェン / ハーフメタリック / 磁性 / 密度汎関数理論 / ニッケルサブストレト / 反応性 / スピン / 酸素 / モンテカルロシミュレーション / ニッケルサブストレート / モンテカルロ法 |
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| Outline of Final Research Achievements |
Graphene Passivated Ferromagnetic Electrodes (GPFE) device, a type of tunneling magnetoresistive device, is composed of Ni and a graphene layer (G / Ni). G is inert to oxygen, but Ni is easy to oxidize. Also, so far, whether G / Ni is a half-metallic material or not has not been confirmed. In this study, we investigated the oxidation properties and half-metal characteristics of G/Ni and its mechanism by first principles method. The presence of G prevented the oxidation of Ni. Half-metal characteristics of G / Ni were obtained due to G/Ni conformational structure. These results are presented in Physical Society Meetings and are published in academic journals as highlight articles.
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Report
(4 results)
Research Products
(27 results)
