The role of dopant segregation on the oxygen vacancy distribution and oxygen diffusion in CeO2 grain boundaries The data supporting the findings of this study are openly available at https://doi.org/10.5281/zenodo.3366185

An important challenge when attempting to identify the role of microstructure on the properties of doped energy materials is to distinguish the behaviour of each grain boundary. In this paper we describe our recent work using atomistic simulations to investigate the structure, composition and oxygen...

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