| Project/Area Number |
18K05284
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Multi-year Fund |
|---|
| Section | 一般 |
|---|
| Review Section |
Basic Section 36010:Inorganic compounds and inorganic materials chemistry-related
|
|---|
| Research Institution | National Institute for Materials Science |
|---|
Principal Investigator |
NAKANO Satoshi 国立研究開発法人物質・材料研究機構, 機能性材料研究拠点, 主幹研究員 (50343869)
|
|---|
| Co-Investigator(Kenkyū-buntansha) |
藤久 裕司 国立研究開発法人産業技術総合研究所, 計量標準総合センター, 主任研究員 (90357913)
|
|---|
| Project Period (FY) |
2018-04-01 – 2021-03-31
|
| Project Status |
Completed (Fiscal Year 2020)
|
| Budget Amount *help |
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2020: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2019: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2018: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
|
|---|
| Keywords | 水素化物 / ヒドリド / イオン伝導 / 高圧 / 相転移 / 超高圧 / ヒドリド伝導 / 高温高圧 / 水素化 / 超イオン伝導体 |
|---|
| Outline of Final Research Achievements |
The high-pressure and high-temperature phase diagram of BaH2 was examined in the range of about 70 GPa and 600 C, and it was clarified that the high-pressure phase (HP1) was the same phase with the high-temperature phase (HT), which shows superionic conduction by hydride H-. Furthermore, the phase boundary with the second high-pressure phase (HP2) was examined, and the stable conditions of the superionic phase were investigated. In addition, DFT calculation also revealed that HP1 has a Ni2In type structure similar to the HT, and HP2 has an AlB2 type structure. High-pressure neutron diffraction and high-pressure Raman scattering were performed to determine the position and behavior of hydrogen experimentally. It was also found that BaH2 and high-pressure hydrogen react at room temperature to produce BaHx polyhydride, which is different from the previous reports.
|
| Academic Significance and Societal Importance of the Research Achievements |
マイナスの電荷を持つ水素イオン（ヒドリド）がイオン伝導を担う水素化物は、革新的なデバイスの担い手になり得ると期待されています。本研究では、その中でも最も単純な２元素からなるBaH2について、構造と物性を明らかにする基礎研究を行いました。約70GPa, 600℃までの範囲でBaH2の構造変化をX線回折で調べるほか、計算科学的手法により、高圧下で現れる高圧相は、高温で現れて超ヒドリド伝導を示す高温相と同じ相であることが明らかとなりました。また、BaH2と高圧水素は室温で反応し、イオン伝導を担う水素をより多く含む多水素化物が生成することを見出しました。今後、伝導メカニズムの解明が進むと期待されます。
|
