論文

2017年4月

First-Principles Selection of Solute Elements for Er-Stabilized Bi2O3 Oxide-Ion Conductor with Improved Long-Term Stability at Moderate Temperatures

CHEMISTRY OF MATERIALS
  • Kazuki Shitara
  • ,
  • Takafumi Moriasa
  • ,
  • Akifumi Sumitani
  • ,
  • Atsuto Seko
  • ,
  • Hiroyuki Hayashi
  • ,
  • Yukinori Koyama
  • ,
  • Rong Huang
  • ,
  • Donglin Han
  • ,
  • Hiroki Moriwake
  • ,
  • Isao Tanaka

29
8
開始ページ
3763
終了ページ
3768
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1021/acs.chemmater.7b00846
出版者・発行元
AMER CHEMICAL SOC

Quality oxide-ion conductors are essential for clean energy applications. Rare-earth-stabilized bismuth sesquioxide, delta-Bi2O3, exhibits a much greater oxide-ion conductivity at high temperatures than commonly used ZrO2- or CeO2-based electrolytes, but it suffers from serious conductivity degradation while annealing at moderate temperatures of similar to 773 K, which is the target temperature for many applications. Here, we demonstrate that a novel set of solute elements for delta-Bi2O3 can significantly enhance the long-term stability at 773 K A pure oxide-ion conductivity of 0.035 S/cm at 773 K remains unchanged during annealing for 100 h, which is five times greater than the best known solid-state oxide materials after long-term annealing. For materials design, we explore a range of chemical spaces using theoretical methods based on first-principles calculations. The order-disorder transition temperature of the anion sublattice, oxygen-ion diffusivity, and solution free energy are used as descriptors. The design concept is verified experimentally.

Web of Science ® 被引用回数 : 20

リンク情報
DOI
https://doi.org/10.1021/acs.chemmater.7b00846
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000400233100047&DestApp=WOS_CPL
ID情報
  • DOI : 10.1021/acs.chemmater.7b00846
  • ISSN : 0897-4756
  • eISSN : 1520-5002
  • Web of Science ID : WOS:000400233100047

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