Electronic Modulation of Bi-Decorated Ti₃C₂T_x MXene Toward Highly Efficient Electrocatalytic Nitrate Reduction to Ammonia.

Authors

Xianghua Hou, Junlong Zheng, Mingying Chen, Longchao Zhuo, Zhiwei Wang, Wenxian Liu, Jun Luo, Xijun Liu

Published in

ChemSusChem. Volume 19. Issue 18. Pages e71063. Sep 28, 2026.

Abstract

Electrochemical nitrate reduction (NO₃RR) provides a sustainable route for ammonia (NH₃) synthesis while also enabling the treatment of nitrogen-containing wastewater. Herein, Bi nanoparticles were anchored on Ti₃C₂T_x MXene through an in situ reduction strategy to form Bi-NP/MXene. Compared with pristine MXene, Bi-NP/MXene exhibits markedly improved NO₃RR activity and NH₃ selectivity, achieving a Faradaic efficiency of 93.2% at -1.2 V versus reversible hydrogen electrode (RHE) and an NH₃ yield rate of 195.3 μmol h^-1 cm^-2 at -1.4 V versus RHE. The catalyst retains stable performance over six consecutive cycles and 1200 min of continuous electrolysis. Density functional theory calculations reveal that Bi incorporation regulates nitrate-derived intermediate adsorption, suppresses H* binding, and reduces the energy barrier of the potential-determining step from 1.36 to 0.74 eV. Moreover, a Zn-NO₃ ^- battery employing Bi-NP/MXene enables simultaneous NH₃ production and electricity generation.

PMID:
42753169
Bibliographic data and abstract were imported from PubMed on 18 Sep 2026.

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