| Project/Area Number |
17360319
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Inorganic materials/Physical properties
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| Research Institution | Tokyo Institute of Technology |
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Principal Investigator |
YASHIMA Masatomo Tokyo Institute of Technology, Interdisciplinary Graduate School of Science and Engineering, Associate Professor, 大学院・総合理工学研究科, 助教授 (00239740)
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| Co-Investigator(Kenkyū-buntansha) |
SASAKI Satoshi Tokyo Institute of Technology, Materials and Structures Laboratory, Professor, 応用セラミックス研究所, 教授 (10162364)
ITOH Mitsuru Tokyo Institute of Technology, Materials and Structures Laboratory, Professor, 応用セラミックス研究所, 教授 (30151541)
KAMIYAMA Takashi High Energy Accelerator Research Organization, Institute for Materials Structure Science, Professor, 物質構造科学研究所, 教授 (60194982)
TANAKA Masahiko National Institute for Materials Science, Beam Line Station, Senior Engineer, 物質研究所, 主席エンジニア (60249901)
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| Project Period (FY) |
2005 – 2006
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| Project Status |
Completed (Fiscal Year 2006)
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| Budget Amount *help |
¥15,500,000 (Direct Cost: ¥15,500,000)
Fiscal Year 2006: ¥6,200,000 (Direct Cost: ¥6,200,000)
Fiscal Year 2005: ¥9,300,000 (Direct Cost: ¥9,300,000)
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| Keywords | neutron diffraction / ionic conduction / synchrotron powder diffraction / covalent bonding / maximum-entropy method / crystal structure analysis / ionic conduction path / 放射光粉末回析 / リチウム / 結晶構造解折 |
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| Research Abstract |
We have reported the results of a neutron powder diffraction study of La_<0.62>Li_<0.16>TiO_3 perovskite that determines the diffusion path of lithium cations at room temperature. At 77K, the Li cations are located at the 2c site on the (002) La deficient layer, while at room temperature, they spread over a wide area and migrate following the 2c-4f-2c or 2c-2d-2c tie line. We have demonstrated that the probability density of Li cations has a minimum between the 2c and 4f or between the 2c and 2d positions on the diffusion path, in contrast to the previous reports where the bottleneck has been thought to be located at the 2c, 2d and 4f positions. Since most of the Li cations are not located at the 4j A-site but at the 2c site, the chemical formula of the title compound is not (La_<2/3-x>, Li_<3x>, (Va_<(A-site)>)_<1/3-2x>)_<A-site>TiO_3, but (La_<2/3-x>,(Va_<(A-site)>)_<1/3+x>)_<A-site>(Li_<3x>,(Va_<(2c)>)_<1/4-3x>)_<2c>TiO_3. The present conclusion would be helpful when discussing the
… More
conduction mechanism of Li-ion conductors.
A size effect on crystal structure has been investigated for barium titanate (BaTiO_3) nanoparticles of 40-, 140- and 430-run sizes, by means of neutron and high-resolution synchrotron X-ray powder diffraction and Raman scattering techniques. Temperature dependence of lattice parameters of bismuth sesquioxide (Bi_2O_3) has been obtained between 26°and 778℃ by the Rietveld method using neutron powder diffraction data. A new electric furnace has been designed and fabricated for measurements of the high-resolution synchrotron radiation powder diffraction profiles from materials at high temperatures up to 1807 K in air, suitable for the multiple-detector system installed at the BL-4B_2 experimental station of the Photon Factory in Tsukuba, Japan. Crystal structure of copper iodide (CuI) has been studied at 300 K and 760 K using synchrotron X-ray powder diffraction data. Tantalum oxynitride (TaON) is investigated by neutron and synchrotron diffraction analysis to clarify the structural and electronic features responsible for the visible-light activity of this material. Less
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