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2010 Fiscal Year Final Research Report

Defect chemistry for electrochemical Li insertion reaction of Lithium iron silicate

Research Project

  • PDF
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
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
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.

  • Research Products

    (9 results)

All 2010 2009 2008

All Journal Article (7 results) (of which Peer Reviewed: 7 results) Presentation (2 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

    • 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

    • 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

    • 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

    • 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

    • 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

    • 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

    • Peer Reviewed
  • [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
  • [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

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Published: 2012-02-13   Modified: 2016-04-21  

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