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Investigation of the mechanism of vacancy formation in hydrogen storage alloys

Research Project

Project/Area Number 19560703
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Structural/Functional materials
Research InstitutionOsaka University

Principal Investigator

MIZUNO Masataka  Osaka University, 大学院・工学研究科, 助教 (50324801)

Project Period (FY) 2007 – 2008
Project Status Completed (Fiscal Year 2008)
Budget Amount *help
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2008: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2007: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
Keywords水素吸蔵 / 金属物性 / 格子欠陥 / 水素吸蔵合金 / 空孔 / 理論計算
Research Abstract

代表的な水素吸蔵合金であるLaNi5について、水素吸蔵・放出過程における空孔の安定性を第一原理計算により評価した。その結果、水素吸蔵過程ではLaNi5水素化物のNi空孔の形成エネルギーがゼロに近い値になり空孔が安定化することが分かった。また、水素放出過程では空孔が水素をトラップすることにより空孔形成エネルギーが低下して、空孔が安定化することが明らかとなった

Report

(3 results)
  • 2008 Annual Research Report   Final Research Report ( PDF )
  • 2007 Annual Research Report
  • Research Products

    (17 results)

All 2009 2008 2007 Other

All Journal Article (6 results) (of which Peer Reviewed: 6 results) Presentation (11 results)

  • [Journal Article] First-principles study of vacancy formation in LaNi52008

    • Author(s)
      Masataka Mizuno, Hideki Araki, Yasuharu Shirai
    • Journal Title

      Journalof Physics : Condensed Matter 20

      Pages: 275232-275232

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-principles study of vacancy formation in LaNi_52008

    • Author(s)
      Masataka Mizuno, Hideki Araki, Yasuharu Shirai
    • Journal Title

      Journal of Physics : Condensed Matter 20

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Investigation of lattice defects in LaNi5 by positron annihilation spectroscopy and first-principles calculations

    • Author(s)
      Masataka Mizun,Hideki Araki, Yasuharu Shirai
    • Journal Title

      International Journal of Quantum Chemistry (印刷中)

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Effect of hydrogen on stability of vacancy in LaNi5

    • Author(s)
      Masataka Mizun, Hideki Araki, Yasuharu Shirai
    • Journal Title

      Journal of Physics : Conference Series (印刷中)

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Investigation of lattice defects in LaNi_5 by positron annihilation spectroscopy and first-principles calculations

    • Author(s)
      Masataka Mizuno, Hideki Araki, Yasuharu Shirai
    • Journal Title

      International Journal of Quantum Chemistry in press

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effect of hydrogen on stability of vacancy in LaNi_5

    • Author(s)
      Masataka Mizuno, Hideki Araki, Yasuharu Shirai
    • Journal Title

      Journal of Physics : Conference Series in press

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Presentation] LaNi5の水素吸放出過程における原子空孔の安定性の評価2009

    • Author(s)
      水野正隆
    • Organizer
      日本金属学会秋期大会
    • Place of Presentation
      東京工業大学
    • Year and Date
      2009-03-28
    • Related Report
      2008 Final Research Report
  • [Presentation] LaNi_5の水素吸放出過程における原子空孔の安定性の評価2009

    • Author(s)
      水野正隆, 荒木秀樹, 白井泰治
    • Organizer
      日本金属学会 2009年度春期大会
    • Place of Presentation
      東京工業大学
    • Year and Date
      2009-03-28
    • Related Report
      2008 Annual Research Report
  • [Presentation] Investigation of lattice defects in hydrogen storage materials by positron annihilation spectroscopy and first-principles CalCUIations Investigation of lattice defects in hydrogen storage materials by positron annihilation spectroscopy and first-principles CalCUIations2008

    • Author(s)
      Masataka Mizuno
    • Organizer
      International Conference on Advanced Structural and Functional Materials Design 2008
    • Place of Presentation
      0saka, Japan
    • Year and Date
      2008-11-11
    • Related Report
      2008 Final Research Report
  • [Presentation] Investigation of lattice defects in hydrogen storage materials by positron annihilati on spectroscopy and first-principles calculations2008

    • Author(s)
      Masataka Mizuno, Hideki Araki, Yasuharu Shirai
    • Organizer
      International Conference on Advanced Structural and Functional Materials Design 2008
    • Place of Presentation
      Hotel Hankyu Expo Park
    • Year and Date
      2008-11-11
    • Related Report
      2008 Annual Research Report
  • [Presentation] LaNi_5の水素化過程における空孔の安定性に関する第一原理計算2008

    • Author(s)
      水野正隆, 荒木秀樹, 白井泰治
    • Organizer
      日本物理学会 第63回年次大会
    • Place of Presentation
      岩手大学
    • Year and Date
      2008-09-23
    • Related Report
      2008 Annual Research Report
  • [Presentation] Investigation of lattice defects by positron annihilation spectroscopy and first-principles calculations Investigation of lattice defects by positron annihilation spectroscopy and first-principles calculations2008

    • Author(s)
      Masataka Mizuno
    • Organizer
      The 5th International Workshopon DV-X
    • Place of Presentation
      Himeji, Japan
    • Year and Date
      2008-08-06
    • Related Report
      2008 Final Research Report
  • [Presentation] Investigation of lattice defects by positron annihilation spectroscopy and first-principles calculations2008

    • Author(s)
      Masataka Mizuno, Hideki Araki, Yasuharu Shirai
    • Organizer
      The 5th International Workshop on DV-Xa
    • Place of Presentation
      兵庫県立大学
    • Year and Date
      2008-08-06
    • Related Report
      2008 Annual Research Report
  • [Presentation] LaNi5の水素化過程における空孔の安定性に関する第一原理計算2008

    • Author(s)
      水野正隆
    • Organizer
      日本物理学会第63回年次大会
    • Place of Presentation
      近畿大学
    • Year and Date
      2008-03-23
    • Related Report
      2008 Final Research Report
  • [Presentation] 第一原理計算によるLaNi_5およびその水素化物における原子空孔の安定性評価2007

    • Author(s)
      水野正隆
    • Organizer
      材料における水素有効利用研究会
    • Place of Presentation
      屋久島いわさきホテル
    • Year and Date
      2007-12-07
    • Related Report
      2007 Annual Research Report
  • [Presentation] LaNi5における空孔の安定性と水素トラップ能に関する第一原理計算2007

    • Author(s)
      水野正隆
    • Organizer
      日本物理学会第62回年次大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2007-09-24
    • Related Report
      2008 Final Research Report
  • [Presentation] LaNi_5における空孔の安定性と水素トラップ能に関する第一原理算2007

    • Author(s)
      水野正隆
    • Organizer
      日本物理学会 第62回年次大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2007-09-24
    • Related Report
      2007 Annual Research Report

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Published: 2007-04-01   Modified: 2016-04-21  

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