• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Ionic conduction path, covalent bonding and phase transition of lithium-ion conductors

Research Project

Project/Area Number 17360319
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Inorganic materials/Physical properties
Research InstitutionTokyo Institute of Technology

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)

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)
Project Period (FY) 2005 – 2006
Project Status Completed (Fiscal Year 2006)
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)
Keywordsneutron 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
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

Report

(3 results)
  • 2006 Annual Research Report   Final Research Report Summary
  • 2005 Annual Research Report
  • Research Products

    (25 results)

All 2007 2006 2005

All Journal Article (22 results) Book (3 results)

  • [Journal Article] Crystal Structure and Electron Density of Tantalum Oxynitride TaON, a Visible Light Responsive Photocatalyst2007

    • Author(s)
      M.Yashima, Y.Lee, K.Domen
    • Journal Title

      Chem. Mater. 19,[4]

      Pages: 588-593

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Crystal Structure and Electron Density of Tantalum Oxynitride TaON, a Visible Light Responsive Photocatalyst2007

    • Author(s)
      M.Yashima, Y.Lee, K.Domen
    • Journal Title

      Chem.Mater. 19, [4]

      Pages: 588-593

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Crystal Structure and Electron Density of Tantalum Oxynitride TaON, a Visible Light Responsive Photocatalyst2007

    • Author(s)
      Masatomo Yashima, Yungi Lee, Kazunari Domen
    • Journal Title

      Chem. Mater., 19,[4]

      Pages: 588-593

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Crystal structure, electron density and diffusion path of the fast-ion conductor copper iodide CuI2006

    • Author(s)
      M.Yashima, Q.Xu, A.Yoshiasa, S.Wada
    • Journal Title

      J. Mater. Chem. 16

      Pages: 4393-4396

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Annual Research Report 2006 Final Research Report Summary
  • [Journal Article] Crystal structure, electron density and diffusion path of the fast-ion conductor copper iodide CuI2006

    • Author(s)
      M.Yashima, Q.Xu, A.Yoshiasa, S.Wada
    • Journal Title

      J.Mater Chem. 16

      Pages: 4393-4396

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] A Compact Furnace for Synchrotron Powder Diffraction Experiments up to 1800 K2006

    • Author(s)
      M.Yashima, K.Oh-uchi, M.Tanaka, T.Ida
    • Journal Title

      J. Am. Ceram. Soc. 89,[4]

      Pages: 1395-1399

    • Related Report
      2006 Annual Research Report
  • [Journal Article] イオン伝導体における不規則構造と可動イオンの拡散経路2006

    • Author(s)
      八島正知
    • Journal Title

      日本結晶学会誌 48,[1]

      Pages: 25-29

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Crystal Structure Analysis of (Ga_<0.93>Zn_<0.07>)(N_<0.90>O_<0.10>) Oxynitride Photocatalyst2006

    • Author(s)
      M.Yashima, K.Maeda, K.Teramura, T.Takata, K.Domen
    • Journal Title

      Mater Tras 45[2]

      Pages: 295-297

    • NAID

      10017282927

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Crystal structures and the oxygen deficiency of tetragonal and monoclinic zirconium oxide nanoparticles2006

    • Author(s)
      Yashima, S.Tsunekawa
    • Journal Title

      Acta Crystallographica, B 61,[1]

      Pages: 161-164

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Crystal Structure and Diffusion Path in the Fast Lithium-Ion Conductor La_<0.62>Li_<0.16>TiO_32005

    • Author(s)
      M.Yashima, M.Itoh, Y.Inaguma, Y.Morii
    • Journal Title

      J. Am. Chem. Soc. 127,[10]

      Pages: 3491-3495

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Size Effect of Crystal Structure of Barium Titanate Dano-Particles2005

    • Author(s)
      M.Yashima, T.Hoshina, D.Ishimura, S.Kobayashi, W.Nakamura, T.Tsurumi, S.Wada
    • Journal Title

      J. Appl. Phys. 98

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Temperature Dependence of Lattice Parameters and Anisotropic Thermal Expansion of Bismuth Oxide2005

    • Author(s)
      M.Yashima, D.Ishimura, K.Ohoyama
    • Journal Title

      J. Am. Ceram. Soc. 88,[8]

      Pages: 2332-2335

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] A compact furnace for synchrotron powder diffraction measurements up to 1807 K2005

    • Author(s)
      M.Yashima, M.Tanaka, K.Oh-uchi, T.Ida
    • Journal Title

      J. Appl. Crystallogr. 38,[5]

      Pages: 854-855

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Crystal Structure and Diffusion Path in the Fast Lithium-Ion Conductor La_<0.62>Li_<0.16>TiO_32005

    • Author(s)
      M.Yashima, M.Itoh, Y.Inaguma, Y.Morii
    • Journal Title

      J.Am.Chem.Soc. 127, [10]

      Pages: 3491-3495

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Temperature Dependence of Lattice Parameters and Anisotropic Thermal Expansion of Bismuth Oxide2005

    • Author(s)
      M.Yashima, D.Ishimura, K.Ohoyama
    • Journal Title

      J.Am.Ceram.Soc. 88 [8]

      Pages: 2332-2335

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Size Effect of Crystal Structure of Barium Titanate Nano-Particles2005

    • Author(s)
      M.Yashima, T.Hoshina, D.Ishimura, S.Kobayashi, W.Nakamura, T.Tsurumi, S.Wada
    • Journal Title

      J.Appl.Phys. 98, 014313

      Pages: 8-8

    • NAID

      130006975226

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] A compact furnace for synchrotron powder diffraction measurements up to 1807 K2005

    • Author(s)
      M.Yashima, M.Tanaka, K.Oh-uchi, T.Ida
    • Journal Title

      J.Appl.Crystallogr 38, [5]

      Pages: 854-855

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Crystal Structure and Diffusion Path in the Fast Lithium-Ion Conductor La_<0.62>Li_<0.16>TiO_32005

    • Author(s)
      M.Yashima, M.Itoh, Y.Inaguma, Y.Morii
    • Journal Title

      J.Am.Chem.Soc. 127,[10]

      Pages: 3491-3495

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Size Effect of Crystal Structure of Barium Titanate Nano-Particles2005

    • Author(s)
      Yashima, T.Hoshina, D.Ishimura, S.Kobayashi, W.Nakamura, T.Tsurumi, S.Wada
    • Journal Title

      J.Appl.Phys. 98

    • NAID

      130006975226

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Temperature Dependence of Lattice Parameters and Anisotropic Thermal Expansion of Bismuth Oxide2005

    • Author(s)
      M.Yashima, D.Ishimura, K.Ohoyama
    • Journal Title

      J.Am.Ceram.Soc. 88,[8]

      Pages: 2332-2335

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Space group and crystal structure of the Perovskite CaTiO_3 from 296K to 1720K2005

    • Author(s)
      R.Ali, M.Yashima
    • Journal Title

      J.Solid State Chem. 178,[2]

      Pages: 2867-2872

    • Related Report
      2005 Annual Research Report
  • [Journal Article] A compact furnace for synchrotron powder diffraction measurements up to 1807K2005

    • Author(s)
      M.Yashima, M.Tanaka, K.Oh-uchi, T.Ida
    • Journal Title

      J.Appl.Crystallogr. 38,[5]

      Pages: 854-855

    • Related Report
      2005 Annual Research Report
  • [Book] ナノパーティクルテクノロジーハンドブック : 基礎編第5章 材料ナノ構造の測定法 5.2結晶構造(細川益男監修)2006

    • Author(s)
      八島正知
    • Total Pages
      3
    • Publisher
      日刊工業新聞社
    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Book] ナノパーティクルテクノロジーハンドブック:基礎編第5章 材料ナノ構造の測定法 5.2 結晶構造」(細川益男監修)2006

    • Author(s)
      八島正知
    • Total Pages
      3
    • Publisher
      日刊工業新聞社
    • Related Report
      2006 Annual Research Report
  • [Book] Visualization of the Diffusion Path and Disorder in Oxide-Ion Conductors, "in Activity Report on Neutron Scattering Research, Research Highlights 2005,Vol.12,(edited by T.J.Sato and Y.Oohara)(Invited Refereed Review in Highlight)2005

    • Author(s)
      Masatomo Yashima
    • Publisher
      Neutron Science Laboratory, Institute for Solid State Physics, University of Tokyo, Tokai, Japan
    • Related Report
      2005 Annual Research Report

URL: 

Published: 2005-04-01   Modified: 2021-09-24  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi