manuscript file for JCs marked copy_accepted.pdf (2.56 MB)
Design principle and assessing the correlations in Sb-doped Ba0.5Sr0.5FeO3–δ perovskite oxide for enhanced oxygen reduction catalytic performance
journal contributionposted on 2021-02-04, 14:50 authored by Naveed Mushtaq, Yuzheng Lu, Chen Xia, Wenjing Dong, Baoyuan Wang, Xunying Wang, MAK Yousaf Shah, Sajid Rauf, Nie Jingjing, Enyi Hu, Haibo Xiao, Rizwan Raza, Jung-Sik Kim, Bin Zhu
Lack of fundamental understanding of the oxygen reduction reaction (ORR) hampers the development of effective metal oxide catalysts and advance low-temperature solid oxide fuel cells (LT-SOFCs). In this study, we report Ba0.5Sr0.5Fe1–xSbxO3–δ (BSFSb, x = 0, 0.05, and 0.1) cathodes designed from both theoretical and experimental aspects to study a good relationship between a material property and enhanced ORR activity. The BSFSb cathode exhibits a very low area-specific resistance (ASR) of 0.20 Ω cm2 and excellent power output of 738 mW cm−2 using the Sm0.2Ce0.8O2 (SDC) electrolyte at 550 °C. The Sb ions doping significantly enhances electrical conductivity and reduces its ORR activation energy. First-principles calculations screen the potential of designed perovskite by showing very low vacancy formation energy and shift in O-p and Fe3-d band centers near to fermi level by replacing Fe with Sb ions. Correspondingly, wide range coverage of distributed orbitals at the fermi level in BSFSb cathode promotes charge transfer with lower energy barrier. These results demonstrate that this design can impact the development of highly functional ORR electrocatalysts for LT-SOFCs and other electrocatalyst applications.
National Natural Science Foundation of China (NSFC) under the grant #51772080 and 11604088
- Aeronautical, Automotive, Chemical and Materials Engineering
- Aeronautical and Automotive Engineering
Published inJournal of Catalysis
Pages168 - 177
- AM (Accepted Manuscript)
Rights holder© Elsevier
Publisher statementThis paper was accepted for publication in the journal Journal of Catalysis and the definitive published version is available at https://doi.org/10.1016/j.jcat.2020.12.005.