Crystalline modulation of zirconia for efficient nitrate reduction to ammonia under ambient conditions

Abstract

Zirconia as a polycrystalline catalyst can be effectively tuned by doping low-valence elements and meanwhile form abundant oxygen vacancies. Herein, the crystalline structures of zirconia are modulated by scandium doping and proposed as a robust catalyst for nitrate reduction to ammonia. The tetragonal zirconia achieves a maximum ammonia yield of 16.03 mg h⁻¹ mg_cat.⁻¹, superior to the other crystal forms. DEMS tests unveil the reaction pathway and theoretical calculations reveal the low free energy of −0.22 eV for nitrate adsorption at the tetragonal zirconia.