Theoretical study on oxygen dissociation reaction on LaSrCoO3

T. Ishimoto, K. Sato, T. Tada, K. Amezawa, M. Koyama

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Citations (Scopus)

Abstract

Doped lanthanum cobaltite and its derivatives are used as cathode materials in solid oxide fuel cell. It is expected that the high catalytic materials for oxygen adsorption and dissociation on oxide surface are found by the controlling the electronic structure of doped lanthanum cobaltite. In this study, we analyzed the stability of oxygen vacancy and surface reaction of oxygen under different spin states of Co ion in Sr doped LaCoO3 by using density functional theory. We clearly found that the difference of oxygen vacancy position and spin state of Co ion affects the reactivity of oxygen on surface.

Original languageEnglish
Title of host publicationSolid Oxide Fuel Cells 14, SOFC 2015
EditorsS. C. Singhal, K. Eguchi
PublisherElectrochemical Society Inc.
Pages651-655
Number of pages5
Edition1
ISBN (Electronic)9781607685395
DOIs
Publication statusPublished - Jan 1 2015
Event14th International Symposium on Solid Oxide Fuel Cells, SOFC 2015; held as part of the Electrochemical Society, ECS Conference on Electrochemical Energy Conversion and Storage - Glasgow, United Kingdom
Duration: Jul 26 2015Jul 31 2015

Publication series

NameECS Transactions
Number1
Volume68
ISSN (Print)1938-6737
ISSN (Electronic)1938-5862

Other

Other14th International Symposium on Solid Oxide Fuel Cells, SOFC 2015; held as part of the Electrochemical Society, ECS Conference on Electrochemical Energy Conversion and Storage
CountryUnited Kingdom
CityGlasgow
Period7/26/157/31/15

All Science Journal Classification (ASJC) codes

  • Engineering(all)

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    Ishimoto, T., Sato, K., Tada, T., Amezawa, K., & Koyama, M. (2015). Theoretical study on oxygen dissociation reaction on LaSrCoO3. In S. C. Singhal, & K. Eguchi (Eds.), Solid Oxide Fuel Cells 14, SOFC 2015 (1 ed., pp. 651-655). (ECS Transactions; Vol. 68, No. 1). Electrochemical Society Inc.. https://doi.org/10.1149/06801.0651ecst