Computational engineering of the oxygen electrode-electrolyte interface in solid oxide fuel cells

Abstract The Ce0.8Gd0.2O2−δ (CGO) interlayer is commonly applied in solid oxide fuel cells (SOFCs) to prevent chemical reactions between the (La1−x Sr x )(Co1−y Fe y )O3−δ (LSCF) oxygen electrode and the Y2O3-stabilized ZrO2 (YSZ) electrolyte. However, formation of the YSZ–CGO solid solution with lo...

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Autores principales:	Kaiming Cheng, Huixia Xu, Lijun Zhang, Jixue Zhou, Xitao Wang, Yong Du, Ming Chen
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/47dd89796f7a4315a8c13f82edec4b40
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spelling	oai:doaj.org-article:47dd89796f7a4315a8c13f82edec4b402021-12-02T17:03:49ZComputational engineering of the oxygen electrode-electrolyte interface in solid oxide fuel cells10.1038/s41524-021-00584-82057-3960https://doaj.org/article/47dd89796f7a4315a8c13f82edec4b402021-07-01T00:00:00Zhttps://doi.org/10.1038/s41524-021-00584-8https://doaj.org/toc/2057-3960Abstract The Ce0.8Gd0.2O2−δ (CGO) interlayer is commonly applied in solid oxide fuel cells (SOFCs) to prevent chemical reactions between the (La1−x Sr x )(Co1−y Fe y )O3−δ (LSCF) oxygen electrode and the Y2O3-stabilized ZrO2 (YSZ) electrolyte. However, formation of the YSZ–CGO solid solution with low ionic conductivity and the SrZrO3 (SZO) insulating phase still happens during cell production and long-term operation, causing poor performance and degradation. Unlike many experimental investigations exploring these phenomena, consistent and quantitative computational modeling of the microstructure evolution at the oxygen electrode–electrolyte interface is scarce. We combine thermodynamic, 1D kinetic, and 3D phase-field modeling to computationally reproduce the element redistribution, microstructure evolution, and corresponding ohmic loss of this interface. The influences of different ceramic processing techniques for the CGO interlayer, i.e., screen printing and physical laser deposition (PLD), and of different processing and long-term operating parameters are explored, representing a successful case of quantitative computational engineering of the oxygen electrode–electrolyte interface in SOFCs.Kaiming ChengHuixia XuLijun ZhangJixue ZhouXitao WangYong DuMing ChenNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 7, Iss 1, Pp 1-10 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765 Kaiming Cheng Huixia Xu Lijun Zhang Jixue Zhou Xitao Wang Yong Du Ming Chen Computational engineering of the oxygen electrode-electrolyte interface in solid oxide fuel cells
description	Abstract The Ce0.8Gd0.2O2−δ (CGO) interlayer is commonly applied in solid oxide fuel cells (SOFCs) to prevent chemical reactions between the (La1−x Sr x )(Co1−y Fe y )O3−δ (LSCF) oxygen electrode and the Y2O3-stabilized ZrO2 (YSZ) electrolyte. However, formation of the YSZ–CGO solid solution with low ionic conductivity and the SrZrO3 (SZO) insulating phase still happens during cell production and long-term operation, causing poor performance and degradation. Unlike many experimental investigations exploring these phenomena, consistent and quantitative computational modeling of the microstructure evolution at the oxygen electrode–electrolyte interface is scarce. We combine thermodynamic, 1D kinetic, and 3D phase-field modeling to computationally reproduce the element redistribution, microstructure evolution, and corresponding ohmic loss of this interface. The influences of different ceramic processing techniques for the CGO interlayer, i.e., screen printing and physical laser deposition (PLD), and of different processing and long-term operating parameters are explored, representing a successful case of quantitative computational engineering of the oxygen electrode–electrolyte interface in SOFCs.
format	article
author	Kaiming Cheng Huixia Xu Lijun Zhang Jixue Zhou Xitao Wang Yong Du Ming Chen
author_facet	Kaiming Cheng Huixia Xu Lijun Zhang Jixue Zhou Xitao Wang Yong Du Ming Chen
author_sort	Kaiming Cheng
title	Computational engineering of the oxygen electrode-electrolyte interface in solid oxide fuel cells
title_short	Computational engineering of the oxygen electrode-electrolyte interface in solid oxide fuel cells
title_full	Computational engineering of the oxygen electrode-electrolyte interface in solid oxide fuel cells
title_fullStr	Computational engineering of the oxygen electrode-electrolyte interface in solid oxide fuel cells
title_full_unstemmed	Computational engineering of the oxygen electrode-electrolyte interface in solid oxide fuel cells
title_sort	computational engineering of the oxygen electrode-electrolyte interface in solid oxide fuel cells
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/47dd89796f7a4315a8c13f82edec4b40
work_keys_str_mv	AT kaimingcheng computationalengineeringoftheoxygenelectrodeelectrolyteinterfaceinsolidoxidefuelcells AT huixiaxu computationalengineeringoftheoxygenelectrodeelectrolyteinterfaceinsolidoxidefuelcells AT lijunzhang computationalengineeringoftheoxygenelectrodeelectrolyteinterfaceinsolidoxidefuelcells AT jixuezhou computationalengineeringoftheoxygenelectrodeelectrolyteinterfaceinsolidoxidefuelcells AT xitaowang computationalengineeringoftheoxygenelectrodeelectrolyteinterfaceinsolidoxidefuelcells AT yongdu computationalengineeringoftheoxygenelectrodeelectrolyteinterfaceinsolidoxidefuelcells AT mingchen computationalengineeringoftheoxygenelectrodeelectrolyteinterfaceinsolidoxidefuelcells
_version_	1718381903540649984

Computational engineering of the oxygen electrode-electrolyte interface in solid oxide fuel cells

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