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Hydroxyl-rich nanocavities on perovskite enable nearly barrierless intramolecular hydrogen transfer for nitrate electroreduction to ammonia.

Created on 30 Jun 2026

Authors

Mingkai Xu, Ruizhao Wang, Zaixing Wang, Zheng Tang, Wei-Hsiang Huang, Wang Tan, Lingjie Yuan, Huanhuan Tao, Zhongliang Dong, Min-Hsin Yeh, Chih-Wen Pao, Jun Yin, Zhiwei Hu, Jie Dai, Yinlong Zhu

Published in

Nature communications. Jun 29, 2026. Epub Jun 29, 2026.

Abstract

Electrocatalytic nitrate reduction to ammonia (NITRR) provides a sustainable avenue for simultaneous nitrate mitigation and ammonia synthesis, but the sluggish surface hydrogen migration during NITRR remains a major bottleneck. Here, we show a barrierless hydrogen transfer pathway along intramolecular hydrogen bonds between hydroxyls of hydroxyl-rich nanocavities for efficient nitrate electroreduction to ammonia. This nanocavity is constructed via electrochemical reduction-assisted selective Sr ions leaching on the La0.4Sr0.6FeO3-δ perovskites. Combined experimental and theoretical investigations reveal that the nanocavity features nanocavity-like architecture with hydroxyl-enriched walls, boosting active hydrogen generating and hopping for NO3- hydrogenation. Benefiting from such unusual intramolecular hydrogen transfer, the surface nanoconcaved La0.4Sr0.6FeO3-δ achieves a Faradaic efficiency of 97.81 % and an ammonia yield rate of 51.37 mg h-1 cm-2 at -0.8 V versus reversible hydrogen electrode (RHE), surpassing nanocavity-free counterpart and ranking among superior NITRR catalysts. Ampere-level current density of nitrate-to-ammonia conversion are further realized in a renewable-energy-powered electrolyzer at a very low cell voltage of 2.23 V. Techno-economic analysis underscores dual benefits of this process including economic viability in ammonia synthesis and environmental impact in nitrate remediation.

PMID:
42374038
Bibliographic data and abstract were imported from PubMed on 30 Jun 2026.

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