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Defect-Structure Modeling of Layered Oxide-Based Ionic Conductors by Diffraction and Total Scattering Measurements and Theoretical Calculation

Research Project

Project/Area Number 15K18215
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Inorganic materials/Physical properties
Research InstitutionTokyo University of Science

Principal Investigator

KITAMURA Naoto  東京理科大学, 理工学部工業化学科, 講師 (10453812)

Project Period (FY) 2015-04-01 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2016: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2015: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Keywords酸化物イオン伝導体 / 欠陥 / 2体分布関数 / 逆モンテカルロ法 / 第一原理計算 / 全散乱 / 理論計算
Outline of Final Research Achievements

This work focused on oxide-ion conductors with a layered structure as an electrolyte of the solid oxide fuel cell, and analyzed Bragg profiles and pair distribution functions obtained by diffraction and total scattering measurements in order to uncover distribution of charge carrier defects such as interstitial oxygen. The analytical results on LaSrGa3O7-based materials clarified that interstitial oxygens tended to be trapped by La. In addition, the analytical accuracy could be improved by the support of the first-principles calculation.

Report

(3 results)
  • 2016 Annual Research Report   Final Research Report ( PDF )
  • 2015 Research-status Report
  • Research Products

    (8 results)

All 2017 2016 2015 Other

All Presentation (7 results) (of which Int'l Joint Research: 1 results,  Invited: 3 results) Remarks (1 results)

  • [Presentation] 量子ビームを用いたイオン伝導性結晶における非周期・欠陥構造の可視化2017

    • Author(s)
      北村 尚斗
    • Organizer
      第385回電池技術委員会
    • Place of Presentation
      千里ライフサイエンスセンター(大阪府豊中市)
    • Year and Date
      2017-02-07
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] LaSrGa3O7系酸化物イオン伝導体の欠陥分布シミュレーション2016

    • Author(s)
      北村 尚斗,政家 弘樹,石田 直哉,井手本 康
    • Organizer
      日本セラミックス協会第29 回秋季シンポジウム
    • Place of Presentation
      広島大学(広島県東広島市)
    • Year and Date
      2016-09-07
    • Related Report
      2016 Annual Research Report
  • [Presentation] Defect-Structure Analysis of Lanthanum-Containing Oxides with Oxide-Ion Conduction by Reverse Monte Carlo Simulation2016

    • Author(s)
      Naoto Kitamura
    • Organizer
      Rare Earths 2016
    • Place of Presentation
      北海道大学(北海道・札幌市)
    • Year and Date
      2016-06-07
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 中性子・放射光X線全散乱測定による結晶性酸化物の欠陥分布シミュレーション2016

    • Author(s)
      北村 尚斗,井手本 康
    • Organizer
      粉体粉末冶金協会平成28年度春季大会
    • Place of Presentation
      京都工芸繊維大学(京都市左京区)
    • Year and Date
      2016-05-25
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] 理論計算と全散乱実験によるメリライト型酸化物イオン伝導体の構造解析2016

    • Author(s)
      宇野 弘樹,北村 尚斗,石田 直哉,井手本 康
    • Organizer
      日本セラミックス協会2016年年会
    • Place of Presentation
      早稲田大学(東京都・新宿区)
    • Year and Date
      2016-03-14
    • Related Report
      2015 Research-status Report
  • [Presentation] 理論計算と中性子・放射光X線を用いた(Sr,Na)2MgSi2O7-d系イオン伝導体の平均・局所構造解析2015

    • Author(s)
      宇野 弘樹,北村 尚斗,石田 直哉,井手本 康
    • Organizer
      第41回固体イオニクス討論会
    • Place of Presentation
      北海道大学(北海道・札幌市)
    • Year and Date
      2015-11-27
    • Related Report
      2015 Research-status Report
  • [Presentation] 理論計算と回折実験による(Sr ,Na)2MgSi2O7-δの酸化物イオン伝導機構の検討2015

    • Author(s)
      宇野 弘樹,北村 尚斗,石田 直哉,井手本 康
    • Organizer
      日本セラミックス協会第28回秋季シンポジウム
    • Place of Presentation
      富山大学(富山県・富山市)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Research-status Report
  • [Remarks] 東京理科大学理工学部工業化学科井手本・北村研究室ホームページ

    • URL

      http://www.rs.noda.tus.ac.jp/idemotol/member/kitamura/index.html

    • Related Report
      2016 Annual Research Report 2015 Research-status Report

URL: 

Published: 2015-04-16   Modified: 2018-03-22  

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