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Title: Sulfur poisoning mechanism of LSCF cathode material in the presence of SO2: a computational and experimental study

Journal Article · · Journal of Materials Informatics (Online)
DOI:https://doi.org/10.20517/jmi.2022.45· OSTI ID:2136591
 [1];  [2]; ORCiD logo [1]
  1. Worcester Polytechnic Institute, MA (United States)
  2. University of Connecticut, Storrs, CT (United States)

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 (La0.6Sr0.4)0.95Co0.2Fe0.8O3 (LSCF-6428) has been investigated in the presence of 10 ppm SO2 at 800, 900, and 1000°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(SO2), P(O2), and Sr concentration on the threshold of SrSO4 stability. Results showed that the formation of SrSO4 is thermodynamically favored at lower temperatures, higher P(SO2), higher P(O2), and higher Sr concentration. Finally, comparisons were also made between LSCF-6428 and LSM20 (La0.8Sr0.2MnO3) using simulations, which confirmed that LSCF-6428 is a poor sulfur-tolerant cathode, in agreement with the literature.

Research Organization:
Worcester Polytechnic Institute, MA (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
FE0031652
OSTI ID:
2136591
Journal Information:
Journal of Materials Informatics (Online), Vol. 3, Issue 1; ISSN 2770-372X
Publisher:
OAE PublishingCopyright Statement
Country of Publication:
United States
Language:
English