Comparative DFT dual gas adsorption model of ZnO and Ag/ZnO with experimental applications as gas detection at ppb level.

By experimental and density functional theory calculations, the toxic gases (Oand NO) sensing capability and mechanism of ZnO NRs and Ag/ZnO NRs have been comparatively studied in this work. Ag NPs arrays were employed for the growth of ZnO NRs. The experimental results show that when ZnO NRs are grown on Ag NPs, the response and adsorption rate towards the gases change significantly.