Home Journals Articles Updates About
CN
image
收藏切换
Formation and Migration of Oxygen Defects in Cathode Materials for Solid Oxide Fuel Cell by First Principle Calculation
收藏切换
Xiwang CHANG1, Ning CHEN2, Zhihong DU2, Lijun WANG3, Hailei ZHAO2, Guozhi ZHOU1
Journal of the Chinese Ceramic Society | 2021, 49(6) : 1105 - 1110
Less
收藏切换
Journal of the Chinese Ceramic Society | 2021, 49(6): 1105-1110
Formation and Migration of Oxygen Defects in Cathode Materials for Solid Oxide Fuel Cell by First Principle Calculation
Full
Xiwang CHANG1, Ning CHEN2, Zhihong DU2, Lijun WANG3, Hailei ZHAO2, Guozhi ZHOU1
Affiliations
  • 1.State Key Laboratory of Advanced Metallurgy, University of Science and Technology Beijing, Beijing 100083, China
  • 2.Department of Inorganic Nonmetallic Materials, University of Science and Technology Beijing, Beijing 100083, China
  • 3.Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China

    • CHANG Xiwang (1986-), male, Doctoral candidate. E-mail:

About Author:

CHANG Xiwang (1986-), male, Doctoral candidate. E-mail:

Published: 2021-06-20 doi: 10.14062/j.issn.0454-5648.20200817
Outline
收藏切换

The layered-structure materials of LaSrCoO4±δ and PrBaMn2O5+δ as cathode materials for solid oxide fuel cell were analyzed by the first principle method. Effect of A site atom arrangement (i.e., layered and mixed) on the electronic structure, defect forming energy and oxide ion migrating energy was investigated. The results show that for LaSrCoO4±δ, La/Sr atoms layered arrangement favors the formation and migration of interstitial oxygen ions, and for PrBaMn2O5+δ, Pr/Ba mixing arrangement benefits the formation and migration of oxygen vacancy. The electronic density distribution in real space was calculated. The results also indicate the reason for different oxygen defects (interstitial ions or vacancy) forming and migrating in each structure and provide a specific micro-image for the material research and optimization.

solid oxide fuel cell  /  cathode  /  layered structure  /  first principle
常希望, 陈宁, 杜志鸿, 王丽君, 赵海雷, 周国治. 固体氧化物燃料电池阴极材料氧缺陷形式及迁移过程第一性原理计算. 硅酸盐学报, 2021 , 49 (6) : 1105 -1110 . DOI: 10.14062/j.issn.0454-5648.20200817
Xiwang CHANG, Ning CHEN, Zhihong DU, Lijun WANG, Hailei ZHAO, Guozhi ZHOU. Formation and Migration of Oxygen Defects in Cathode Materials for Solid Oxide Fuel Cell by First Principle Calculation[J]. Journal of the Chinese Ceramic Society, 2021 , 49 (6) : 1105 -1110 . DOI: 10.14062/j.issn.0454-5648.20200817
Appendix
Less
Year 2021 volume 49 Issue 6
24
6
Cite this Article
BibTeX
Article Info
doi: 10.14062/j.issn.0454-5648.20200817
  • Receive Date：2020-11-02
  • Online Date：2026-10-30
  • Published：2021-06-20
Article Data
Affiliations
History
  • Received：2020-11-02
  • Revised：2020-11-20
Funding
Affiliations
    1.State Key Laboratory of Advanced Metallurgy, University of Science and Technology Beijing, Beijing 100083, China
    2.Department of Inorganic Nonmetallic Materials, University of Science and Technology Beijing, Beijing 100083, China
    3.Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China

Corresponding:

CHEN Ning (1963-), Ph.D., Associate Professor. E-mail:
References
Share
https://castjournals.cast.org.cn/joweb/gsyxb/EN/10.14062/j.issn.0454-5648.20200817
Share to
QR

Scan QR to access full text

Cite this article
BibTeX
Citations
表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
Genus		 种数
Number of
species		 占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
关闭全屏
  • BibTeX
  • EndNote
  • RefWorks
  • TxT
Links
Articles
Latest Articles
Most Read
Collections
Updates
Events
News
Multimedia
About
About Us
Contact
No. 86 Xueyuan South Road, Haidian District, Beijing
100081
010-62662699(Operation and Technical Support)
qkjq@cast.org.cn

Copyright © 2025 China Association for Science and Technology. All rights reserved. For all open access content, the relevant licensing terms apply.
Sponsored by the Office of the Leading Group for Cybersecurity and Informatization of CAST, and supported by Science and Technology Review Publishing House