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

M. Koyama, T. Ishimoto

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

Abstract

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.

Original languageEnglish
Title of host publicationSolid-Gas Electrochemical Interfaces 2 - SGEI 2
EditorsS. Adler, E. Ivers-Tiffee, B. Yildiz, T. Kawada
PublisherElectrochemical Society Inc.
Pages75-80
Number of pages6
Edition10
ISBN (Electronic)9781607685395
DOIs
Publication statusPublished - Jan 1 2017
EventSymposium on Solid-Gas Electrochemical Interfaces 2, SGEI 2017 - 231st ECS Meeting 2017 - New Orleans, United States
Duration: May 28 2017Jun 1 2017

Publication series

NameECS Transactions
Number10
Volume77
ISSN (Print)1938-5862
ISSN (Electronic)1938-6737

Other

OtherSymposium on Solid-Gas Electrochemical Interfaces 2, SGEI 2017 - 231st ECS Meeting 2017
CountryUnited States
CityNew Orleans
Period5/28/176/1/17

Fingerprint

Cathodes
Oxygen
Solid oxide fuel cells (SOFC)
Kinetics
Adsorption
Lanthanum
Vacancies
Electronic structure
Surface properties
Density functional theory
Derivatives
Electrodes

All Science Journal Classification (ASJC) codes

  • Engineering(all)

Cite this

Koyama, M., & Ishimoto, T. (2017). First-principles study on oxygen reduction reaction over La1-xSrxCoO3-δ. In S. Adler, E. Ivers-Tiffee, B. Yildiz, & T. Kawada (Eds.), Solid-Gas Electrochemical Interfaces 2 - SGEI 2 (10 ed., pp. 75-80). (ECS Transactions; Vol. 77, No. 10). Electrochemical Society Inc.. https://doi.org/10.1149/07710.0075ecst

First-principles study on oxygen reduction reaction over La1-xSrxCoO3-δ. / Koyama, M.; Ishimoto, T.

Solid-Gas Electrochemical Interfaces 2 - SGEI 2. ed. / S. Adler; E. Ivers-Tiffee; B. Yildiz; T. Kawada. 10. ed. Electrochemical Society Inc., 2017. p. 75-80 (ECS Transactions; Vol. 77, No. 10).

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

Koyama, M & Ishimoto, T 2017, First-principles study on oxygen reduction reaction over La1-xSrxCoO3-δ. in S Adler, E Ivers-Tiffee, B Yildiz & T Kawada (eds), Solid-Gas Electrochemical Interfaces 2 - SGEI 2. 10 edn, ECS Transactions, no. 10, vol. 77, Electrochemical Society Inc., pp. 75-80, Symposium on Solid-Gas Electrochemical Interfaces 2, SGEI 2017 - 231st ECS Meeting 2017, New Orleans, United States, 5/28/17. https://doi.org/10.1149/07710.0075ecst
Koyama M, Ishimoto T. First-principles study on oxygen reduction reaction over La1-xSrxCoO3-δ. In Adler S, Ivers-Tiffee E, Yildiz B, Kawada T, editors, Solid-Gas Electrochemical Interfaces 2 - SGEI 2. 10 ed. Electrochemical Society Inc. 2017. p. 75-80. (ECS Transactions; 10). https://doi.org/10.1149/07710.0075ecst
Koyama, M. ; Ishimoto, T. / First-principles study on oxygen reduction reaction over La1-xSrxCoO3-δ. Solid-Gas Electrochemical Interfaces 2 - SGEI 2. editor / S. Adler ; E. Ivers-Tiffee ; B. Yildiz ; T. Kawada. 10. ed. Electrochemical Society Inc., 2017. pp. 75-80 (ECS Transactions; 10).
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