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- W3039758929 abstract "The determination of the atomic structure of oxide surfaces has been a challenge because of their structural complexity. In this study, the coexistence of two types of reconstructions of the spinel (100) surface and their derivatives has been revealed by aberration-corrected transmission electron microscopy experiments and density functional theory calculations. Both reconstructions have the same oxygen sublattice as the bulk, but different cation distributions. The first type involves a full substitution of subsurface Mg atoms by Al. The second type involves a surface interstitial atom and a subsurface vacancy. The two types of surfaces avoid metallization and have significantly lower energies than the structural models known to date. The flexibility in cation distribution accounts for the sensitivity of the surface structure of spinel-type oxides on preparation routes, providing insights into the understanding and controlling of surface behavior and properties." @default.
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- W3039758929 date "2020-07-03" @default.
- W3039758929 modified "2023-10-16" @default.
- W3039758929 title "Flexible Cation Distribution for Stabilizing a Spinel Surface" @default.
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- W3039758929 doi "https://doi.org/10.1021/acs.jpcc.0c03853" @default.
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