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Optimising oxygen diffusion in non-cubic, non-dilute perovskite oxides based on BiFeO3

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Through molecular-dynamics simulations of rhombohedral BiFeO3, substituent cations were identified that could optimize the oxygen diffusivity and the limits of the standard crystal-chemical approach were revealed. Click to show full abstract

Through molecular-dynamics simulations of rhombohedral BiFeO3, substituent cations were identified that could optimize the oxygen diffusivity and the limits of the standard crystal-chemical approach were revealed.

Keywords: cubic non; non dilute; oxygen diffusion; diffusion non; optimising oxygen; non cubic

Journal Title: Journal of Materials Chemistry A
Year Published: 2019

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