| Project/Area Number |
24656422
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Multi-year Fund |
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| Research Field |
Structural/Functional materials
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| Research Institution | Japan Atomic Energy Agency |
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Principal Investigator |
SHIMOYAMA Iwao 独立行政法人日本原子力研究開発機構, 原子力科学研究部門 量子ビーム応用研究センター, 研究副主幹 (10425572)
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| Co-Investigator(Kenkyū-buntansha) |
YOSHIGOE Akitaka 独立行政法人日本原子力研究開発機構, 原子力科学研究部門・量子ビーム応用研究センター, 研究主幹 (00283490)
TERAOKA Yuden 独立行政法人日本原子力研究開発機構, 原子力科学研究部門・量子ビーム応用研究センター, 研究主幹 (10343922)
SEKIGUCHI Tetsuhiro 独立行政法人日本原子力研究開発機構, 原子力科学研究部門・量子ビーム応用研究センター, 研究主幹 (20373235)
BABA Yuji 独立行政法人日本原子力研究開発機構, 福島事業管理部, 嘱託 (90360403)
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| Project Period (FY) |
2012-04-01 – 2015-03-31
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| Project Status |
Completed (Fiscal Year 2014)
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| Budget Amount *help |
¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000)
Fiscal Year 2014: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2013: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2012: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
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| Keywords | カーボンアロイ / 触媒活性 / ヘテロ原子ドーピング / NEXAFS / 原子配置 / 曲面構造 / 炭素触媒 / 酸素還元反応 / XPS / チオフェン / 吸着 / 偏光依存性 |
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| Outline of Final Research Achievements |
We studied electronic structures at hetero atoms doped in graphite in order to clarify the relationship between catalytic activity of carbon alloy and local structures of hetero atoms. Near-edge X-ray absorption fine structure (NEXAFS) spectroscopy was devoted to analyze graphite surfaces doped with boron, nitrogen, and phosphorus. We interpreted NEXAFS using DV-Xα molecular orbital calculations and found that catalytic activity of oxygen reduction reaction (ORR) is improved when phosphorus sites have curved structures based on the electrochemical measurements. With regard to B-C-N materials prepared by B and N co-doping, we propose new idea of polarization rule that determines atomic arrangements of boron, carbon, and nitrogen atoms based on the relationship between electronic structures and intensity of first π* peak in NEXAFS spectra.
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