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Wang et al. J Mater Inf 2023;3:3 Journal of
DOI: 10.20517/jmi.2022.45
Materials Informatics

Research Article Open Access

Sulfur poisoning mechanism of LSCF cathode
material in the presence of SO : a computational and
2
experimental study

2
Rui Wang 1 , Lucas R. Parent , Yu Zhong 1,*
1
Mechanical and Materials Engineering Department, Worcester Polytechnic Institute, Worcester, MA 01609, USA.
2
Innovation Partnership Building, University of Connecticut, Storrs, CT 06269, USA.
* Correspondence to: Prof. Yu Zhong, Mechanical and Materials Engineering Department, Worcester Polytechnic Institute, 100
Institute Road, Worcester, MA 01609, USA. E-mail: yzhong@wpi.edu

How to cite this article: Wang R, Parent LR, Zhong Y. Sulfur poisoning mechanism of LSCF cathode material in the presence of
SO : a computational and experimental study. J Mater Inf 2023;3:3. https://dx.doi.org/10.20517/jmi.2022.45
2
Received: 19 Dec 2022 First Decision: 30 Jan 2023 Revised: 15 Feb 2023 Accepted: 6 Mar 2023 Published: 9 Mar 2023

Academic Editors: Qian Li, William Yi Wang Copy Editor: Ke-Cui Yang Production Editor: Ke-Cui Yang

Abstract
Aiming at the comprehensive understanding of the single sulfur poisoning effect and, eventually, the multiple
impurities poisoning phenomena on the SOFC (Solid Oxide Fuel Cell) cathode materials, the sulfur poisoning effect
on the (La Sr ) Co Fe O (LSCF-6428) has been investigated in the presence of 10 ppm SO at 800, 900, and
2
0.4 0.95
0.6
3
0.2
0.8
1,000 °C, respectively, with a combined computational and experimental approach. The good agreement between
the CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) simulations and the XRD (X-Ray
Diffraction), SEM (Scanning Electron Microscopy), and TEM (Transmission Electron Microscopy) characterization
results support the reliability of the CALPHAD approach in the SOFC field. Furthermore, comprehensive
simulations were made to understand the impact of temperature, P(SO ), P(O ), and Sr concentration on the
2
2
threshold of SrSO stability. Results showed that the formation of SrSO is thermodynamically favored at lower
4
4
temperatures, higher P(SO ), higher P(O ), and higher Sr concentration. Finally, comparisons were also made
2
2
between LSCF-6428 and LSM20 (La Sr MnO ) using simulations, which confirmed that LSCF-6428 is a poor
0.2
3
0.8
sulfur-tolerant cathode, in agreement with the literature.
Keywords: LSCF cathode, CALPHAD, sulfur poisoning, long-term degradation, accelerated testing

© The Author(s) 2023. Open Access This article is licensed under a Creative Commons Attribution 4.0
International License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, sharing,
adaptation, distribution and reproduction in any medium or format, for any purpose, even commercially, as
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