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April 18, 2026ACS Nano2 citations

From Kernel Rearrangement to Surface Oxygen Vacancy Enrichment: Boosting Ammonia Electrosynthesis on 3D Urchin-like Cu–Co Oxides

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YSYifei ShanJLJingdong LiSDSongyu Du

Key Points

  • This research aims to enhance the efficiency of nitrate-to-ammonia electroreduction using urchin-like Cu-Co oxides.
  • Developed a kernel structure rearrangement strategy using Pluronic@F127 template.
  • Conducted electrochemical in situ reconstruction to increase surface oxygen vacancy coverage.
  • Utilized density functional theory calculations to understand the mechanisms involved.
  • Achieved an ammonia production rate exceeding 0.25 mmol cm-2 h-1.
  • Reported 100% Faraday efficiency at -0.2 V (RHE) in a neutral medium.
  • Demonstrated reduced Gibbs free energy for *NO2 hydrogenation, minimizing nitrite byproduct formation.

Abstract

Nitrate-to-ammonia electroreduction represents an environmentally friendly pathway for both ammonia synthesis and nitrogen source recovery. However, its efficiency is still limited by insufficient active sites to adsorb nitrate and activate H2O simultaneously. Herein, a kernel structure rearrangement strategy is proposed to construct a rapid electron transfer channel inside an urchin-like Cu-Co oxide using Pluronic@F127 as a template, which is beneficial for increasing the surface oxygen vacancy coverage after electrochemical in situ reconstruction. An ammonia production rate exceeding 0.25 mmol cm-2 h-1 and 100% Faraday efficiency (-0.2 V (RHE)) are achieved in neutral medium, superior to other reported three-dimensional materials. Density functional theory calculations and in situ characterizations reveal that the nitrate spatial hindrance caused by the increase of oxygen vacancy coverage makes it easier for the adjacent oxygen vacancy to adsorb H2O and produce active hydrogen. The rapid migration of active hydrogen between adjacent oxygen vacancies is beneficial for the reduction of the Gibbs free energy of *NO2 hydrogenation, minimizing the formation of the byproduct nitrite and thus promoting the energy utilization in both ammonia synthesis and Cl--mediated total nitrogen removal. The spatially hindered strategy proposed in this work provides a way to improve three-dimensional materials' electrochemical hydrogenation performances.

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Cite This Study

Shan et al. (2026) studied this question.

synapsesocial.com/papers/69e3211640886becb6540545https://doi.org/10.1021/acsnano.6c05674
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