Electrochemical reduction of nitrate into ammonia has lately been identified as one among the promising solutions to address the challenges triggered by the growing global energy demand. Exploring newer electrocatalyst materials is vital to make this process effective and feasible. Recently, metal-organic framework (MOF)-based catalysts are being well investigated for electrocatalytic ammonia synthesis, accounting for their enhanced structural and compositional integrity during catalytic reduction reactions. In this study, we investigate the ability of the PCN-250-Fe3 MOF toward ammonia production in its pristine and activated forms. The activated MOF catalyst delivered a faradaic efficiency of about 90% at -1 V vs RHE and a yield rate of 2.5 × 10-4 mol cm-2 h-1, while the pristine catalyst delivered a 60% faradaic efficiency at the same potential. Theoretical studies further provide insights into the nitrate reduction reaction mechanism catalyzed by the PCN-250-Fe3 MOF catalyst. In short, simpler and cost-effective strategies such as pretreatment of electrocatalysts have an upper hand in aggravating the intrinsic material properties, for catalytic applications, when compared to conventional material modification approaches.

Chemistry Department College of Science King Saud University P O Box 2455 Riyadh 11451 Saudi Arabia

Department of Medical Research China Medical University Hospital China Medical University No 91 Hsueh Shih Road Taichung 40402 Taiwan

Department of Paediatrics and Inherited Metabolic Disorders 1st Faculty of Medicine Charles University Prague KeKarlovu 2 Prague 128 08 Czech Republic

Faculty of Electrical Engineering and Computer Science VSB Technical University of Ostrava 17 listopadu 2172 15 Ostrava 708 00 Czech Republic

Future Energy and Innovation Laboratory Central European Institute of Technology Brno University of Technology Purkyňova 123 Brno 612 00 Czech Republic

IT4Innovations VŠB Technical University of Ostrava Ostrava Poruba 708 00 Czech Republic

Regional Centre of Advanced Technologies and Materials Czech Advanced Technology and Research Institute Palacký University Olomouc Olomouc 783 71 Czech Republic

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Single Atom Engineering for Electrocatalysis: Fundamentals and Applications

Single Atom Catalyst for Nitrate-to-Ammonia Electrochemistry

Magnetically Propelled Microrobots toward Photosynthesis of Green Ammonia from Nitrates