-) and adsorption and rearrangement of HO2(. As for SOD-like activities, the mechanisms mainly consist of protonation of O2( On the basis of these results, an energy-based model is proposed to account for the activation of molecular oxygen. Briefly, the activity is critically dependent on two factors, metal compositions and exposed facets. As verification, the calculated activity orders for series of metal and alloy nanomaterials are in excellent agreement with those obtained by experiments. The activation (Eact) and reaction energies (Er) calculated by DFT can be used to effectively predict the activity. We find that the simple reaction-dissociation of O2-supported on metal surfaces can profoundly account for the oxidase-like activities of the metals. Using density functional theory (DFT) calculations, we investigate mechanisms of oxidase- and SOD-like properties for metals Au, Ag, Pd and Pt and alloys Au4-xMx (x = 1, 2, 3 M = Ag, Pd, Pt). 
However, origins of these activities remain to be studied.
Metal and alloy nanomaterials have intriguing oxidase- and superoxide dismutation-like (SOD-like) activities.
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