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<p>Ammonia is a vital industrial chemical, predominantly produced through the energy-intensive Haber–Bosch process, which is associated with substantial carbon dioxide emissions due to its reliance on fossil-fuel-based energy sources. Therefore, the development of sustainable alternatives for ammonia synthesis is of significant importance. Electrochemical ammonia synthesis via the nitrogen reduction reaction (NRR) under ambient conditions has emerged as a promising approach; however, the development of highly active, selective, and stable electrocatalysts remains a major challenge. In this context, this review systematically examines β-Mo<sub>2</sub>C and its MXene derivative β-Mo<sub>2</sub>CT<sub>x</sub> as emerging electrocatalysts for NRR, highlighting their unique electronic structures, surface terminations, and strong nitrogen adsorption capability. Recent advances in synthesis strategies, including heteroatom doping, defect engineering, and composite formation, are critically analyzed to elucidate structure–performance relationships. Both theoretical and experimental studies indicate that rationally engineered β-Mo<sub>2</sub>C/β-Mo<sub>2</sub>CT<sub>x</sub> catalysts can markedly enhance NRR performance. Reported Faradaic efficiencies vary broadly depending on the catalyst design and testing parameters, while the NH<sub>3</sub> yield rates fall within the range of 1.41 to 95.1&#xa0;µg h<sup>− 1</sup> mg<sup>− 1</sup> under different experimental conditions. By correlating catalytic pathways with structural and electronic modulation, this review identifies current limitations and outlines future design strategies toward scalable green ammonia production.</p> Graphical Abstract <p></p>

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A review on the Synthesis, Electrochemical Performance and Computational Study of Molybdenum Carbide and Molybdenum MXene in Nitrogen Reduction Reaction

  • 期刊论文

  • 发表日期：

    2026年8月5日

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  • Zahra Mokhtari,
  • Ramin Khoshsorour,
  • Mehdi Mehrpooya,
  • Mohammad Reza Ganjali,
  • Min Hwan Lee,
  • Nejat Rahmanian

摘要

Ammonia is a vital industrial chemical, predominantly produced through the energy-intensive Haber–Bosch process, which is associated with substantial carbon dioxide emissions due to its reliance on fossil-fuel-based energy sources. Therefore, the development of sustainable alternatives for ammonia synthesis is of significant importance. Electrochemical ammonia synthesis via the nitrogen reduction reaction (NRR) under ambient conditions has emerged as a promising approach; however, the development of highly active, selective, and stable electrocatalysts remains a major challenge. In this context, this review systematically examines β-Mo2C and its MXene derivative β-Mo2CTx as emerging electrocatalysts for NRR, highlighting their unique electronic structures, surface terminations, and strong nitrogen adsorption capability. Recent advances in synthesis strategies, including heteroatom doping, defect engineering, and composite formation, are critically analyzed to elucidate structure–performance relationships. Both theoretical and experimental studies indicate that rationally engineered β-Mo2C/β-Mo2CTx catalysts can markedly enhance NRR performance. Reported Faradaic efficiencies vary broadly depending on the catalyst design and testing parameters, while the NH3 yield rates fall within the range of 1.41 to 95.1 µg h− 1 mg− 1 under different experimental conditions. By correlating catalytic pathways with structural and electronic modulation, this review identifies current limitations and outlines future design strategies toward scalable green ammonia production.

Graphical Abstract