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

Investigation of ionic conduction mechanism of apatite-type fast ionic conductors from first principles

Research Project

Project/Area Number 24656382
Research Category

Grant-in-Aid for Challenging Exploratory Research

Allocation TypeMulti-year Fund
Research Field Inorganic materials/Physical properties
Research InstitutionNagoya University

Principal Investigator

MATSUNAGA Katsuyuki  名古屋大学, 工学研究科, 教授 (20334310)

Project Period (FY) 2012
Project Status Completed (Fiscal Year 2012)
Budget Amount *help
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2012: ¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Keywords第一原理計算 / 拡散 / 活性化エネルギー
Research Abstract

An ionic conduction mechanism of apatite-type fast oxide ion conductors (La10(SiO4)6O3) was investigated by first principles calculations. Initially, most stable and metastable sites of interstitial oxide ions were analyzed, and diffusion pathways and their energy barriers between the most stable and metastable interstitial sites were calculated. The present calculations showed that interstitial oxide ions do not diffuse through the apatite-type crystal structure by an interstitial mechanism but via an interstitialcy mechanism.

Report

(2 results)
  • 2012 Annual Research Report   Final Research Report ( PDF )
  • Research Products

    (4 results)

All 2012

All Presentation (4 results)

  • [Presentation] Theoretical analyses on interstitial oxygen sites in apatite-type oxide-ion conductors2012

    • Author(s)
      Kouta Imaizumi, Kazuaki Toyoura, and Katsuyuki Matsunaga
    • Organizer
      IUMRS-ICEM2012
    • Place of Presentation
      Yokohama
    • Related Report
      2012 Annual Research Report 2012 Final Research Report
  • [Presentation] アパタイト型酸素イオン伝導体におけるイオン伝導経路の計算解析2012

    • Author(s)
      今泉孝太、豊浦和明、松永克志
    • Organizer
      日本セラミックス協会秋季シンポジウム
    • Place of Presentation
      名古屋
    • Related Report
      2012 Annual Research Report 2012 Final Research Report
  • [Presentation] La10(GeO4)6O3 おける酸素イオン伝導経路の計算解析2012

    • Author(s)
      今泉孝太、豊浦和明、松永克志
    • Organizer
      日本金属学会秋季大会
    • Place of Presentation
      松山
    • Related Report
      2012 Final Research Report
  • [Presentation] La10(GeO4)6O3おける酸素イオン伝導経路の計算解析2012

    • Author(s)
      今泉孝太、豊浦和明、松永克志
    • Organizer
      日本金属学会秋季大会
    • Place of Presentation
      松山
    • Related Report
      2012 Annual Research Report

URL: 

Published: 2013-05-31   Modified: 2019-07-29  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi