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Defect chemistry for electrochemical Li insertion reaction of Lithium iron silicate

Research Project

Project/Area Number 20760450
Research Category

Grant-in-Aid for Young Scientists (B)

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

Principal Investigator

NAKAYAMA Masanobu  Tokyo Institute of Technology, 大学院・工学研究科, 准教授 (10401530)

Research Collaborator MARTIN Manfred  RWTH Aachen University, Institute of Physical Chemistry, Professor
Project Period (FY) 2008 – 2010
Project Status Completed (Fiscal Year 2010)
Budget Amount *help
¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
Fiscal Year 2010: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2009: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2008: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywords機能性セラミックス / リチウムイオン電池 / 電気化学計測 / 第一原理計算 / 格子欠陥 / ケイ酸鉄リチウム / イオン伝導
Research Abstract

This study have been focused on lithium iron silicates as electrode materials for rechargeable battery due to abundance of mineral resources. It is known that this material suffers from low electronic conductivity, so that special attention has been paid to electronic and ionic conduction mechanism using experimental and computational techniques. The results indicate that arrangement of Li/Fe/Vac changes with state of charge, and the arrangements of ions cause significant effect for ionic conductivity in oxide electrodes.

Report

(4 results)
  • 2010 Annual Research Report   Final Research Report ( PDF )
  • 2009 Annual Research Report
  • 2008 Annual Research Report
  • Research Products

    (21 results)

All 2010 2009 2008

All Journal Article (15 results) (of which Peer Reviewed: 15 results) Presentation (6 results)

  • [Journal Article] Ab initio prediction for the ionic conduction of lithium in LiInSiO4 and LilnGeO_4 Olivine Materials2010

    • Author(s)
      T.Rajkumar, M.Nakayama, M.Nogami
    • Journal Title

      150

      Pages: 693-693

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Ionic conductivity of Lithium in spinel-type Li<_4/3>Ti_<5/3>O_4-LiMg_<1/2>Ti_<3/2>O_4 solid-solution system2010

    • Author(s)
      H.Shiiba, M.Nakayama, M.Nogami
    • Journal Title

      Solid State tonics 181

      Pages: 994-994

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-Principles Study on Phase Transition Induced by Charge Ordering of Mn^<3+>/Mn^<4+> in Spine] LiMn_2O_42010

    • Author(s)
      M.Nakayama, M.Nogami
    • Journal Title

      Solid State Commun. 150

      Pages: 1329-1329

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Ionic conductivity of Lithium in spinel-type Li_<4/3>Ti_<5/3>O_4-LiMg_<1/2>Ti_<3/2>O_4 solid-solution system2010

    • Author(s)
      中山将伸, 他2名
    • Journal Title

      Solid State Ionics

      Volume: 181 Pages: 994-1001

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-Principles Study on Phase Transition Induced by Charge Ordering of Mn^<3+>/Mn^<4+> in Spinel LiMn_2O_42010

    • Author(s)
      中山将伸、野上正行
    • Journal Title

      Solid State Communication

      Volume: 150 Pages: 1329-1333

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ab initio prediction for the ionic conduction of lithium in LiInSiO4 and LiInGeO4 Olivine Materials2010

    • Author(s)
      中山将伸, 他2名
    • Journal Title

      Solid State Communication

      Volume: 150 Pages: 693-696

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Arrangement of La and Vacancies in La_<2/3>TiO_3 Predicted by First-Principles Density Functional Calculation with Cluster Expansion and Monte Carlo simulation2009

    • Author(s)
      M.Nakayama, A.Shirasawa, T.Saito
    • Journal Title

      J.Ceram.Soc.Jpn. 117

      Pages: 911-911

    • NAID

      10025968874

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Relationship between Electrochemical Behavior and Li/Vacancy Arrangement in Ramsdellite type Li_<2+x>Ti_3O_72009

    • Author(s)
      W.Cho, W.Ra, T.Kashiwagi, M.Nakayama, M.Wakihara, Y.Kobayashi, H.Miyashiro
    • Journal Title

      Electrochim.Acta 54

      Pages: 1842-1842

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Ab initio prediction for the ionic conduction of lithium in LiInSiO4 and LiInGeO4 Olivine Materials2009

    • Author(s)
      中山将伸, 他2名
    • Journal Title

      Solid State Communications 150

      Pages: 693-696

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Relationship between Electrochemical Behavior and Li/Vacancy Arrangement in Ramsdellite type Li2+xTi3O72009

    • Author(s)
      中山将伸, 他6名
    • Journal Title

      Electrochimica Acta 54

      Pages: 1842-1850

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Arrangement of La and Vacancies in La2/3TiO3 Predicted by First-Principles Density Functional Calculation with Cluster Expansion and Monte Carlo simulation2009

    • Author(s)
      中山将伸, 他2名
    • Journal Title

      Journal of Ceramic Society Japan 117

      Pages: 911-916

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-principles study on defect chemistry and migration of oxide ions in ceria doped with rare-earth cations2009

    • Author(s)
      中山将伸, 他1名
    • Journal Title

      Phys. Chem. Chem. Phys. (in press)

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 第一原理バンド計算によるリチウムイオン電池正極材料LiMPO_4(M=Mn,Fe,Co,Ni)のバルク特性の研究2008

    • Author(s)
      M.Nakayama, M.Wakihara
    • Journal Title

      Electrochemistry 76

      Pages: 752-752

    • NAID

      10024261218

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-principles study on defect chemistry and migration of oxide ions in ceria doped with rare-earth cations2008

    • Author(s)
      M.Nakayama, M.Martin
    • Journal Title

      Phys.Chem.Chem.Phys. 11

      Pages: 3756-3756

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] 第一原理バンド計算によるリチウムイオン電池正極材料LiMPO4(M=Mn, Fe, Co, Ni)のバルク特性の研究2008

    • Author(s)
      中山将伸, 他1名
    • Journal Title

      Electrochemistry 76

      Pages: 752-752

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Presentation] Migration of Oxide Ions in Ceria Doped with Rare-earth Cations Using First-principles Density Functional Study2010

    • Author(s)
      中山将伸、Manfred Martin
    • Organizer
      12^<th> International Ceramics Congress
    • Place of Presentation
      Montecatini, Italy
    • Year and Date
      2010-06-09
    • Related Report
      2010 Annual Research Report
  • [Presentation] Arrangement of Li and vacancies in LixMn204 and related compounds as cathode materials2010

    • Author(s)
      中山将伸
    • Organizer
      第48回セラミックス基礎科学討論会
    • Place of Presentation
      沖縄
    • Year and Date
      2010-01-12
    • Related Report
      2010 Final Research Report
  • [Presentation] Arrangement of Li and vacancies in LixMn2O4 and related compounds as cathode materials2010

    • Author(s)
      中山将伸
    • Organizer
      第48回セラミックス基礎科学討論会
    • Place of Presentation
      沖縄、日本
    • Year and Date
      2010-01-12
    • Related Report
      2009 Annual Research Report
  • [Presentation] 第一原理計算によるスピネル型LiMn_2O_4の電荷配列相転移の解析2009

    • Author(s)
      中山将伸
    • Organizer
      平成21年日本セラミックス協会東海支部学術講演会
    • Place of Presentation
      東京農工大学
    • Year and Date
      2009-11-28
    • Related Report
      2009 Annual Research Report
  • [Presentation] 第一原理計算によるLiz_<2-x>FeSiO_4リチウムイオン電池正極材料の相平衡に関する研究2009

    • Author(s)
      中山将伸, ほか2名(第一発表者)
    • Organizer
      電気化学会
    • Place of Presentation
      京都
    • Year and Date
      2009-03-29
    • Related Report
      2010 Final Research Report
  • [Presentation] 第一原理計算によるLi2-xFeSiO4リチウムイオン電池正極材料の相平衡に関する研究2009

    • Author(s)
      中山将伸, 他2名
    • Organizer
      電気化学会
    • Place of Presentation
      京都・京都大学
    • Year and Date
      2009-03-29
    • Related Report
      2008 Annual Research Report

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Published: 2008-04-01   Modified: 2016-04-21  

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