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- W3126289893 abstract "We compare different means of predicting and rationalizing properties of corrosion films aiming at gaining deeper understanding of the behaviour of copper in aqueous and sulphide-containing environments. Purely geometrical tools ranging from mean bulk information to anisotropic and facet-specific approaches are discussed, and their performances compared against DFT-based stability and property evaluations of a range of interfaces arising from combining low-index crystallographic planes of the compounds Cu, Cu2O, and Cu2S. We demonstrate the necessity to consider facet-specific interactions to understand nanolevel differences between Cu2S and Cu2O film behaviour, and that thin films cannot be directly described by bulk properties." @default.
- W3126289893 created "2021-02-15" @default.
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- W3126289893 date "2021-05-01" @default.
- W3126289893 modified "2023-10-16" @default.
- W3126289893 title "Properties of interfaces between copper and copper sulphide/oxide films" @default.
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- W3126289893 doi "https://doi.org/10.1016/j.corsci.2021.109313" @default.
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