We propose the pseudobrookite Fe2 TiO5 nanofiber with abundant oxygen vacancies as a new electrocatalyst to ambiently reduce nitrate to ammonia. Such catalyst achieves a large NH3 yield of 0.73 mmol h-1 mg-1 cat. and a high Faradaic Efficiency (FE) of 87.6 % in phosphate buffer saline solution with 0.1 M NaNO3 , which is lifted to 1.36 mmol h-1 mg-1 cat. and 96.06 % at -0.9 V vs. RHE for nitrite conversion to ammonia in 0.1 M NaNO2 . It also shows excellent electrochemical durability and structural stability. Theoretical calculation reveals the enhanced conductivity of this catalyst and an extremely low free energy of -0.28 eV for nitrate adsorption at the presence of vacant oxygen.
Keywords: Ammonia Synthesis; Catalytic Reduction of Nitrate; Density Functional Theory; Oxygen Vacancy; Pseudobrookite.
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