Fig. 1. Side and top views of optimized adsorption structures of H₂O₂ on the Fe₃O₄(311) surface by different adsorption configurations of (a) molecular adsorption and (b) dissociative adsorption. Purple, red, and white spheres represent Fe, O, and H atoms, respectively. The deep red color represents the oxygen of H₂O₂ while the light red color is the oxygen of Fe₃O₄(311) surface.