Hydrogenated TiO ₂ Nanoparticles Loaded with Au Nanoclusters Demonstrating Largely Enhanced Performance for Electrochemical Reduction of Nitrogen to Ammonia

Pristine TiO2/Au (P-TiO2/Au) is modified by hydrogen plasma (H-TiO2/Au) or and oxygen (H-O-TiO2/Au) treatment, then used as electrochemical catalysts for nitrogen reduction reaction (NRR). H-TiO2/Au shows enhanced performance the NRR process compared with both P-TiO2/Au H-O-TiO2/Au. After hydrogenation some disordered regions on surface of TiO2 nanoparticles are formed, a large number vacancies incorporated into crystalline structures. When samples NRR, yield NH3 about ten times to that three H-O-TiO2/Au, while highest Faradaic efficiency 2.7% also obtained at potential −0.1 V catalyst. The density functional theory (DFT) calculation results confirm layer much preferred energetically process. It proves adsorption N2 molecules catalyst reduced barriers due presence defects play an important role in improving catalysts’ performances. show technique can be efficient method modify processes.