First-principles study on oxygen reduction reaction over La1-xSrxCoO3-δ

M. Koyama, T. Ishimoto

研究成果: 著書/レポートタイプへの貢献会議での発言

1 引用 (Scopus)

抜粋

Understanding the electrode kinetics in solid oxide fuel cells is important to realize the highly efficient system. Doped lanthanum cobaltite and its derivatives are used as cathode materials in solid oxide fuel cell. As results of considerable number of studies, it is generally accepted that the dissociative adsorption of oxygen at the cathode surface is one of the rate-determining steps. Toward the rational design of cathode materials, we discuss how the electronic structure affects the surface kinetics of doped cobaltite in this study. We focus on La0.5Sr0.5CoO3-δ (LSC) as cathode material and discuss the properties (001) surface with LaO termination based on density functional theory method. We investigated the oxygen adsorption energy and vacancy formation energy by changing the spin states of Co in LSC. The calculated properties are discussed in the context of the kinetic process of oxygen reduction at LSC surface together with future perspectives.

元の言語英語
ホスト出版物のタイトルSolid-Gas Electrochemical Interfaces 2 - SGEI 2
編集者S. Adler, E. Ivers-Tiffee, B. Yildiz, T. Kawada
出版者Electrochemical Society Inc.
ページ75-80
ページ数6
エディション10
ISBN(電子版)9781607685395
DOI
出版物ステータス出版済み - 1 1 2017
イベントSymposium on Solid-Gas Electrochemical Interfaces 2, SGEI 2017 - 231st ECS Meeting 2017 - New Orleans, 米国
継続期間: 5 28 20176 1 2017

出版物シリーズ

名前ECS Transactions
番号10
77
ISSN(印刷物)1938-5862
ISSN(電子版)1938-6737

その他

その他Symposium on Solid-Gas Electrochemical Interfaces 2, SGEI 2017 - 231st ECS Meeting 2017
米国
New Orleans
期間5/28/176/1/17

    フィンガープリント

All Science Journal Classification (ASJC) codes

  • Engineering(all)

これを引用

Koyama, M., & Ishimoto, T. (2017). First-principles study on oxygen reduction reaction over La1-xSrxCoO3-δ. : S. Adler, E. Ivers-Tiffee, B. Yildiz, & T. Kawada (版), Solid-Gas Electrochemical Interfaces 2 - SGEI 2 (10 版, pp. 75-80). (ECS Transactions; 巻数 77, 番号 10). Electrochemical Society Inc.. https://doi.org/10.1149/07710.0075ecst