Flexible A-site doping La0.6-xMxSr0.4Co0.2Fe0.8O3 (M=Ca, Ba, Bi; x=0, 0.1, 0.2) as novel cathode material for intermediate-temperature solid oxide fuel cells: A first-principles study and experimental exploration

Jia, Weihua and Huang, Zhuonan and Sun, Wei and Wu, Le and Zheng, Lan and Wang, Yuqi and Huang, Jianbing and Yang, Xin and Lv, Ming and Ge, Lei ORCID: https://orcid.org/0000-0003-2989-0329 (2021) Flexible A-site doping La0.6-xMxSr0.4Co0.2Fe0.8O3 (M=Ca, Ba, Bi; x=0, 0.1, 0.2) as novel cathode material for intermediate-temperature solid oxide fuel cells: A first-principles study and experimental exploration. Journal of Power Sources, 490:229564. ISSN 0378-7753


Abstract

To address both challenges of insufficient oxygen vacancies and excessive interface resistance in intermediate-temperature solid oxide fuel cells (IT-SOFCs), in this study, we apply the first-principle density functional study to choose the A-site cation doping M(M = Ca, Ba, Bi) for conventional La0.6Sr0.4Co0.2Fe0.8O3 (LSCF) and find that Bi doping could produce the smallest generation energy of oxygen vacancy. Then novel Bi-doped La0.6-xBixSr0.4Co0.2Fe0.8O3 (LBSCFx, x = 0,0.1,0.2) cathode materials are investigated, revealing Bi3+ doping can promote the electrochemical performance of LBSCFx cathode by the enrichment of oxygen vacancies and the triple-phase boundaries. Attributed to the accelerated oxygen transportation and the increased oxygen reduction reaction sites, the effectiveness of Bi3+ doping LSCF on the reduction of polarization resistant (Rp) and activation energy (Ea) is superior than most of other LSCF doping strategies. The Rp and Ea values of LBSCF0.2 are reduced more than 58% and 27% compared to that of undoped LSCF respectively, and the maximum power density of the anode-supported single cells based on LBSCF0.2 outperforms 1 at 750 °C. Both Rp and power density suggest the effectiveness of Bi doping strategy for developing cathode materials in IT-SOFCs.


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Item Type: Article (Commonwealth Reporting Category C)
Refereed: Yes
Item Status: Live Archive
Additional Information: Permanent restricted access to Published version, in accordance with the copyright policy of the publisher.
Faculty/School / Institute/Centre: Current - Institute for Advanced Engineering and Space Sciences - Centre for Future Materials (1 Jan 2017 -)
Faculty/School / Institute/Centre: Current - Institute for Advanced Engineering and Space Sciences - Centre for Future Materials (1 Jan 2017 -)
Date Deposited: 08 Feb 2021 02:27
Last Modified: 23 Jun 2021 07:22
Uncontrolled Keywords: solid oxide fuel cell; bi-doped cathode; oxygen vacancy; first-principles calculation; electrochemical property
Fields of Research (2008): 03 Chemical Sciences > 0303 Macromolecular and Materials Chemistry > 030304 Physical Chemistry of Materials
03 Chemical Sciences > 0302 Inorganic Chemistry > 030206 Solid State Chemistry
Fields of Research (2020): 34 CHEMICAL SCIENCES > 3403 Macromolecular and materials chemistry > 340305 Physical properties of materials
40 ENGINEERING > 4004 Chemical engineering > 400404 Electrochemical energy storage and conversion
Socio-Economic Objectives (2020): 17 ENERGY > 1704 Energy transformation > 170404 Solid oxide fuel cells
Identification Number or DOI: https://doi.org/10.1016/j.jpowsour.2021.229564
URI: http://eprints.usq.edu.au/id/eprint/41166

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