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The unique electronic and structural properties of graphene oxides(GOs)may offer extraordinary potential in the design of high-performance molecular sensors and novel catalysts.Using the density functional theory calculations,we report the adsorption and reaction of NO and ammonia and propane molecules on GOs-based nanomaterials.The epoxy functional group and its neighboring sp2 carbon atoms of GOs,rather than the hydroxyl group,are used as active sites to enhance the binding of Ag13 to graphene through the C–O–Ag and C–Ag chemical bonds.The strong interfacial interaction of Ag nanoparticle-GOs hybrid has significant impact on the adsorption of NH3.GOs with modified oxygen-containing groups may afford high catalytic activity for the the oxidative dehydrogenation(ODH)of propane to propene.The sites of oxygen functional groups on the GO surface can be easily tuned by the diffusion of these groups under the external electric field,which increases the reactivity of GOs towards ODH of propane.The related mechanisms for GOs as molecular sensors and novel catalysts are discussed.