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Design principle and assessing the correlations in Sb-doped Ba0.5Sr0.5FeO3–δ perovskite oxide for enhanced oxygen reduction catalytic performance

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posted on 04.02.2021, 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.

Funding

National Natural Science Foundation of China (NSFC) under the grant #51772080 and 11604088

History

School

  • Aeronautical, Automotive, Chemical and Materials Engineering

Department

  • Aeronautical and Automotive Engineering

Published in

Journal of Catalysis

Volume

395

Pages

168 - 177

Publisher

Elsevier

Version

AM (Accepted Manuscript)

Rights holder

© Elsevier

Publisher statement

This 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.

Acceptance date

09/12/2020

Publication date

2021-01-21

Copyright date

2021

ISSN

0021-9517

Language

en

Depositor

Dr Jung-Sik Kim. Deposit date: 2 February 2021