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Reactive molecular dynamics (RMD) simulations of hydrolysis of defective layers of SiO2. (A) Perspective snapshot of the SiO2 slab in water. (B) Top-view representation of four different oxide densities of the SiO2 slab in water. (C) Simulation snapshots of hydrolysis reactions that lead to the dissociation of one molecule of SiO2 from the structure.
