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The molecular mechanism of the adhesion between silica surface and epoxy resin under atmospheric conditions is investigated by periodic density‐functional‐theory (DFT) calculations. Slab models of the adhesion interface were built by integrating a fragment of epoxy resin and hydroxylated (0 0 1) surface of α‐cristobalite in the presence of adsorbed water molecules. Effects of adsorbed water on the...
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