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Nitrogen atoms, present in all proteins and DNA, are recycled between abiotic and biotic components of the ecosystem. However, the primary form of nitrogen on Earth is nitrogen gas, which cannot be used by most animals and plants. Thus, nitrogen gas must first be converted into a usable form by nitrogen-fixing bacteria before it can be cycled through other living organisms. The use of nitrogen-containing fertilizers and animal waste products in human agriculture has greatly influenced the...
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Nitrogen is a very important element for life because it is a major constituent of proteins and nucleic acids. It is a macronutrient, and in nature, it is recycled from organic compounds and stored in the form of  ammonia, ammonium ions, nitrate, nitrite, or  nitrogen gas by many metabolic processes. Many of these metabolic processes are carried out only by prokaryotes.
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Nitrogen is an essential element in biological systems, forming a crucial component of proteins, nucleic acids, and other cellular constituents. Many bacteria and archaea acquire nitrogen in the form of nitrate (NO₃⁻) or ammonia (NH₃), which are then assimilated into biomolecules through specific enzymatic pathways.Assimilatory Nitrate ReductionWhen nitrate enters the cell, it undergoes a two-step reduction process known as assimilatory nitrate reduction. Initially, the enzyme...
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Efficient nitrogen fixation to ammonia on MXenes.

Mengmeng Shao1, Yangfan Shao, Wenzhou Chen

  • 1Institute of Applied Physics and Materials Engineering, University of Macau, Macao, P. R. China. huipan@umac.mo.

Physical Chemistry Chemical Physics : PCCP
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Summary

New MXene catalysts show promise for nitrogen fixation (N2-fixation). Mo2C and W2C exhibit high activity due to exothermic reactions and efficient charge transfer, potentially benefiting the chemical industry.

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Area of Science:

  • Materials Science
  • Catalysis
  • Computational Chemistry

Background:

  • Nitrogen fixation (N2-fixation) is crucial for industrial applications, driving the search for efficient catalysts.
  • MXenes, a class of two-dimensional materials, are being explored for various catalytic processes.

Purpose of the Study:

  • To investigate the potential of MXene materials as active catalysts for nitrogen fixation (N2-fixation).
  • To understand the relationship between catalytic performance, reaction energy, and charge transfer in MXenes for N2-fixation.

Main Methods:

  • Utilized density functional theory (DFT) calculations to model and analyze the catalytic properties of MXenes.
  • Examined a family of MXenes including M2C and M2N, where M represents Mo, Ta, Ti, and W.

Main Results:

  • Catalytic performance of MXenes for N2-fixation is strongly correlated with the exothermicity of reaction steps.
  • Charge transfer significantly influences reaction energy: electron gain by N atoms leads to exothermic reactions, while electron loss results in endothermic reactions.
  • Mo2C and W2C demonstrated high catalytic activity due to highly exothermic reactions and substantial charge transfer.

Conclusions:

  • MXenes, particularly Mo2C and W2C, are promising candidates for active nitrogen fixation (N2-fixation) catalysts.
  • The findings provide insights into catalyst design principles for N2-fixation based on reaction energetics and charge transfer.
  • These highly active MXene catalysts may find applications in the chemical-engineering industry.