Molecular dynamics study of oxygen-ion diffusion in yttria-stabilized zirconia grain boundaries
نویسندگان
چکیده
This work focuses on understanding the oxygen-ion transport through mixed Grain Boundaries (GBs) present in yttria-stabilized zirconia (YSZ), a common solid oxide fuel cells (SOFCs) electrolyte.
منابع مشابه
Molecular dynamics simulations of yttria-stabilized zirconia
Oxygen diffusion in the oxygen ionic conductor yttria-stabilized zirconia is investigated by means of the molecular dynamics simulation technique. Oxygen ions migrate by means of a discrete hopping process, mainly between neighbouring tetrahedral sites. Diffusion appears to occur in a short time and a long time regime. Only when the oxygen ions have moved over distances much larger than the cha...
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ژورنال
عنوان ژورنال: Journal of materials chemistry. A, Materials for energy and sustainability
سال: 2022
ISSN: ['2050-7488', '2050-7496']
DOI: https://doi.org/10.1039/d1ta08309k