Mixed Fe-Mo carbide prepared by a sonochemical synthesis as highly efficient nitrate reduction electrocatalyst

Jiajun Hu; Silvio Osella; Eduardo Arizono dos Reis; Anelisse Brunca da Silva; Caue Ribeiro; Lucia Helena Mascaro; Josep Albero; Hermenegildo Garcia

doi:10.1016/j.apcatb.2024.124247

arXiv · 2502.13515

Mixed Fe-Mo carbide prepared by a sonochemical synthesis as highly efficient nitrate reduction electrocatalyst

Jiajun Hu·Silvio Osella·Eduardo Arizono dos Reis·Anelisse Brunca da Silva·Caue Ribeiro·Lucia Helena Mascaro·Josep Albero·Hermenegildo Garcia

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Abstract

Ammonia, a versatile compound that can be used as a fertilizer, chemical or fuel, has since long been produced through the energy-intensive Haber-Bosch process. Recently, the electrochemical nitrate reduction reaction (NO3RR) using electricity generated from renewable sources has attracted widespread attention. However, the complex reaction pathway of NO3RR leads to the formation of many undesirable by-products. Herein we successfully prepared a mixed (FeMo)2C catalyst with good electrocatalytic NO3RR, having a NH3 yield of 14.66 mg h-1 cm-2 and an FE of 94.35 % at low potential -0.3 V vs RHE. DFT calculations show that the presence of Fe in Mo2C lattice changes the reaction mechanism, decreasing the potential barrier to be overcome from 1.36 to 0.89 eV. In addition, mixed Fe-Mo carbide facilitates the adsorption of intermediates and promotes NH3 desorption, facilitating NO3- reduction to NH3. In addition, (FeMo)2C was used as cathode for Zn-NO3 battery to generate electricity, producing ammonia at the same time, with a power density of 3.8 mWcm-2 and an NH3 FE of 88 %. This work describes a new synthesis method for mixed metal carbides and provides a promising strategy for NH3 production.

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Jiajun Hu, Silvio Osella, Eduardo Arizono dos Reis, Anelisse Brunca da Silva, Caue Ribeiro, Lucia Helena Mascaro, Josep Albero, Hermenegildo Garcia. 2025-02-19. Mixed Fe-Mo carbide prepared by a sonochemical synthesis as highly efficient nitrate reduction electrocatalyst. https://doi.org/10.1016/j.apcatb.2024.124247

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