Molecular dynamics simulations of point/line defect structures and oxygen diffusion mechanism in yttrium-doped barium zirconate
نویسندگان
چکیده
منابع مشابه
Proton trapping in yttrium-doped barium zirconate.
The environmental benefits of fuel cells have been increasingly appreciated in recent years. Among candidate electrolytes for solid-oxide fuel cells, yttrium-doped barium zirconate has garnered attention because of its high proton conductivity, particularly in the intermediate-temperature region targeted for cost-effective solid-oxide fuel cell operation, and its excellent chemical stability. H...
متن کاملAtomic Resolution Distortion Analysis of Yttrium-Doped Barium Zirconate
Ionic transport dynamics underpins the functionality of most energy storage and conversion technologies. Yttrium-doped barium zirconate (Y-BZO) has attracted attention as a promising electrolyte for proton-conducting solid oxide fuel cells (PC-SOFCs), which stems from its high proton conductivity and excellent chemical stability at intermediate temperatures (400-700°C) [1]. The Grotthuss mechan...
متن کاملUnraveling the defect chemistry and proton uptake of yttrium-doped barium zirconate
A review of the experimental literature documenting water uptake in yttrium-doped barium zirconate in combination with new results obtained here show that much of the observed scatter can be explained in terms of barium deficiency, which furthermore induces a lowering in cell volume. In addition, through a comparison of weight changes under regular and heavy water vapor pressure, strong evidenc...
متن کاملCation non-stoichiometry in yttrium-doped barium zirconate: phase behavior, microstructure, and proton conductivity
Recent literature indicates that cation non-stoichiometry in proton-conducting perovskite oxides (ABO3) can strongly influence their transport properties. Here we have investigated A-site nonstoichiometry in Ba1 xZr0.8Y0.2O3 d, a candidate electrolyte material for fuel cell and other electrochemical applications. Synthesis is performed using a chemical solution approach in which the barium defi...
متن کاملDemonstrating the potential of yttrium-doped barium zirconate electrolyte for high-performance fuel cells
In reducing the high operating temperatures (≥800 °C) of solid-oxide fuel cells, use of protonic ceramics as an alternative electrolyte material is attractive due to their high conductivity and low activation energy in a low-temperature regime (≤600 °C). Among many protonic ceramics, yttrium-doped barium zirconate has attracted attention due to its excellent chemical stability, which is the mai...
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ژورنال
عنوان ژورنال: SCIENTIA SINICA Chimica
سال: 2019
ISSN: 1674-7224
DOI: 10.1360/ssc-2019-0044