Improving Proton Conductivity by Navigating Proton Trapping in High Scandium-Doped Barium Zirconate Electrolytes

Proton-conducting oxides are used in intermediate-temperature (300 °C < T < 700 °C) applications of fuel cells, electrolyzers, membrane reactors, hydrogen pumps, and sensors. The proton conductivity of doped ABO3 perovskites is partly dependent on the proton concentration and hence on the leve...

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Bibliographic Details
Published in:Chemistry of materials 2023-07, Vol.35 (14), p.5341-5352
Main Authors: Regalado Vera, Clarita Y., Ding, Hanping, Urban-Klaehn, Jagoda, Li, Meng, Zhao, Zeyu, Stewart, Frederick, Tian, Hanchen, Liu, Xingbo, Dong, Yanhao, Li, Ju, Zhou, Meng, Luo, Hongmei, Ding, Dong
Format: Article
Language:English
Subjects:
BaZrO3
doping
electrical conductivity
hydration
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
materials
nuclear radiation
proton conductor
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Summary:Proton-conducting oxides are used in intermediate-temperature (300 °C < T < 700 °C) applications of fuel cells, electrolyzers, membrane reactors, hydrogen pumps, and sensors. The proton conductivity of doped ABO3 perovskites is partly dependent on the proton concentration and hence on the level of material hydration. However, how the material hydration ability is affected by differences in doping is not fully understood. Here, we show the prospect of proton trapping and detrapping that influences material hydration and dehydration. The proton-trapping influence is significant for Sc-doped BaZrO3 compared to Y-doped BaZrO3. Our work offers a perspective to understand how defect interaction/associations influence the hydration ability of proton-conducting oxides. Furthermore, positron annihilation lifetime spectroscopy was revealed to be a valuable technique for studying the proton-trapping phenomena and the defect chemistry of dense proton conductors. Density functional theory calculations also showed that a high hydration level in Sc-doped BaZrO3 boosts proton migration. In contrast, the effect of boosting the proton migration due to increased hydration is limited for Y-doped BaZrO3. This effect, in turn, might explain the trend of conductivity with dopant concentration in doped BaZrO3.
ISSN:0897-4756
1520-5002
DOI:10.1021/acs.chemmater.3c00531