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Pathway for hydrogen peroxide decomposition on PE surface. (a) Scheme of two steps of reaction, formation of an intermediate hydrogen trioxide from two H2O2 molecules and its hydrolysis in O2 and H2O. (b) Starting structure of modelled reaction, including two molecules of hydrogen peroxide, a PE surface, and solvent molecules, forming a hydrogen-bond network. Atoms which participate in the reaction are labelled; dotted lines represent hydrogen bonds.
