2021 Fiscal Year Final Research Report
Study of electronic structure of impurity hydrogen in functional materials
Project/Area Number |
19K15033
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Research Category |
Grant-in-Aid for Early-Career Scientists
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Allocation Type | Multi-year Fund |
Review Section |
Basic Section 21050:Electric and electronic materials-related
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Research Institution | High Energy Accelerator Research Organization |
Principal Investigator |
Hiraishi Masatoshi 大学共同利用機関法人高エネルギー加速器研究機構, 物質構造科学研究所, 特任助教 (80712653)
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Project Period (FY) |
2019-04-01 – 2022-03-31
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Keywords | ミュオンスピン回転緩和 / DFT / 水素 |
Outline of Final Research Achievements |
While it is known that a very small amount of impurity hydrogen in functional materials such as semiconductors and solar cell materials can affect their properties, it is difficult to directly investigate the electronic structure of impurity hydrogen. In this study, muon spin rotation and relaxation experiments are performed on various functional materials, and the electronic structure of elementary muons as pseudo-hydrogen are clarified by a combination of first-principles calculations. The interstitial positions of muons as pseudo-hydrogen in the dilute limit were successfully determined with high accuracy in the electride material LaScSi, battery/catalytic material β-MnO2, and the solar cell material CH3NH3PbI3.
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Free Research Field |
物性物理学
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Academic Significance and Societal Importance of the Research Achievements |
ミュオン (Mu) による不純物水素のこれまでの研究は、実験的に様々な情報を得やすい中性状態 (Mu0) が観測される物質がほとんどであったが、本研究では荷電状態のミュオン (Mu+, Mu-) に着目し、その電子状態を調べる手法を開発することに成功した。かつ、本研究での対象物質は、高効率のアンモニア合成触媒物質、電池、太陽電池材料として研究されている物質であり、その特性を左右しうる不純物水素の電子状態を調べることは、学術的意義だけでなく産業界や社会への還元が期待できる。
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