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The adsorption behavior and decomposition pathway of H2O2 on the filter surfaces were simulated by density functional theory calculations. The research outcomes provided atomic-level mechanistic insights into the Au-mediated Fenton reaction.Sonication in water reduced the average contour lengths of nanocellulose prepared from wood cellulose fiber and microcrystalline cellulose. Most of the kinks in the wood cellulose nanofibrils were formed during the initial 10 min of sonication. Fragmentation occurred at the kinks and ri