Electrocatalytic Nitrogen-Cycle

A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Electrocatalysis".

Deadline for manuscript submissions: closed (10 May 2025) | Viewed by 2543

Special Issue Editor


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Guest Editor
School of Material Science and Engineering, Hebei University of Technology, Tianjin 300130, China
Interests: electrochemical synthesis of ammonia (nitrogen/nitrate/nitrite reduction reaction); electrocatalysts; hydrogen generation; fuel cell

Special Issue Information

Dear Colleagues,

Electrocatalytic nitrogen cycling plays a pivotal role in practical applications such as ammonia (NH3) synthesis or environmental remediation, providing a method for sustainable energy development and environmental protection. More specifically, reactions such as the nitrogen reduction reaction (NRR), nitrate reduction (NO3RR), nitrite reduction (NO2RR), synthesis of N-containing compounds, and ammonia decomposition are all within the scope involved in realizing nitrogen cycling. The efficiency of these electrochemical reactions depends primarily on the properties of the used catalytic materials. For this purpose, there has been a search for more reactive, durable, selective, and cost-effective materials for these electrochemical processes. Therefore, this Special Issue will focus on the design of advanced electrocatalysts and the development of catalytic mechanisms. Topics of interest are related to nitrogen cycle electrocatalysis, including but not limited to artificial nitrogen fixation, the nitrate/nitrite reduction reaction, nitric oxide oxidation and reduction reactions, the ammonia oxidation reaction, hydrazine oxidation, and the nitrogen oxidation reaction.

Dr. Sijia Li
Guest Editor

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Keywords

  • electrocatalysts
  • nitrogen
  • ammonia
  • nitrate

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Published Papers (2 papers)

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Research

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10 pages, 4658 KiB  
Article
Electrode Materials for NO Electroreduction Based on Dithiolene Metal–Organic Frameworks: A Theoretical Study
by Jiake Fan, Lei Yang, Lixin Ye, Mengyun Mei and Weihua Zhu
Catalysts 2024, 14(10), 739; https://doi.org/10.3390/catal14100739 - 21 Oct 2024
Cited by 1 | Viewed by 955
Abstract
To quickly and efficiently screen catalytic materials with both activity and selectivity for the nitric oxide reduction reaction (NORR), we adopted a strategy that considers the activity of the side reaction hydrogen evolution reaction (HER) first. It can be seen that Fe3 [...] Read more.
To quickly and efficiently screen catalytic materials with both activity and selectivity for the nitric oxide reduction reaction (NORR), we adopted a strategy that considers the activity of the side reaction hydrogen evolution reaction (HER) first. It can be seen that Fe3(THT)2 (THT = triphenylene-2,3,6,7,10,11-hexathiol) has extremely excellent HER activity, with a Gibbs free energy change (ΔG) of 0.007 eV. Based on the relationship between ΔG and theoretical exchange current density, all TM3(THT)2 can be divided into two regions: one is the absolute values of ΔG greater than 1 eV, the other is the absolute values of ΔG greater than 0 eV and less than 1eV. Obviously, the candidates with the absolute values of ΔG greater than 1 eV have poor HER performance, but this precisely provides the possibility of obtaining NORR catalytic materials with both excellent selectivity and activity. Subsequent calculation results show that the maximum ΔG change of the rate-determining step of Ta3(THT)2 is unexpectedly only 0.05 eV. Therefore, Ta3(THT)2 may be regarded as the NORR catalytic material with both excellent performance and selectivity. Based on the electron transfer and partial density of states (PDOS) analysis, it can be seen that Ta plays a crucial role in the activation stage of NO. The approach that considers the activity of the side reaction HER first may provide a new idea for rapidly screening highly selective and active NORR catalysts. Full article
(This article belongs to the Special Issue Electrocatalytic Nitrogen-Cycle)
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Review

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24 pages, 3072 KiB  
Review
Recent Advances in Membrane Electrode Assembly Based Nitrate Reduction Electrolyzers for Sustainable Ammonia Synthesis
by Keon-Han Kim and Jeonghoon Lim
Catalysts 2025, 15(2), 172; https://doi.org/10.3390/catal15020172 - 12 Feb 2025
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Abstract
The electrochemical reduction from nitrate (NO3RR) to ammonia (NH3) provides a decentralized and environmentally friendly route for sustainable ammonia production while addressing the urgent issue of nitrate pollution in water bodies. Recent advancements in NO3RR research have [...] Read more.
The electrochemical reduction from nitrate (NO3RR) to ammonia (NH3) provides a decentralized and environmentally friendly route for sustainable ammonia production while addressing the urgent issue of nitrate pollution in water bodies. Recent advancements in NO3RR research have improved catalyst designs, mechanistic understanding, and electrolyzer technologies, enhancing selectivity, yield, and energy efficiency. This review explores cutting-edge developments, focusing on innovative designs for catalysts and electrolyzers, such as membrane electrode assemblies (MEA) and electrolyzer configurations, understanding the role of membranes in MEA designs, and various types of hybrid and membrane-free reactors. Furthermore, the integration of NO3RR with anodic oxidation reactions has been demonstrated to improve overall efficiency by generating valuable co-products. However, challenges such as competitive hydrogen evolution, catalyst degradation, and scalability remain critical barriers to large-scale adoption. We provide a comprehensive overview of recent progress, evaluate current limitations, and identify future research directions for realizing the full potential of NO3RR in sustainable nitrogen cycling and ammonia synthesis. Full article
(This article belongs to the Special Issue Electrocatalytic Nitrogen-Cycle)
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