Electrosynthesis of ammonia

Pickett, Christopher J.; Talarmin, Jean

doi:10.1038/317652a0

Cited by 271 publications

(193 citation statements)

References 8 publications

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“…Early studies have demonstrated the feasibility of this process in a synthetic context (164,165), inspiring the development of catalysts including Pt (166), Rh (167), and Ru (167,168). As with carbon dioxide reduction, the nitrogen reduction reaction involves multiple intermediates, and the HER is a major competing reaction, making selectivity a great challenge (15).…”

Section: Nitrogen Reduction Reactionmentioning

confidence: 99%

Combining theory and experiment in electrocatalysis: Insights into materials design

Seh

Kibsgaard

Dickens

et al. 2017

Science

8,759

6,544

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Better living through water-splitting Chemists have known how to use electricity to split water into hydrogen and oxygen for more than 200 years. Nonetheless, because the electrochemical route is inefficient, most of the hydrogen made nowadays comes from natural gas. Seh et al. review recent progress in electrocatalyst development to accelerate water-splitting, the reverse reactions that underlie fuel cells, and related oxygen, nitrogen, and carbon dioxide reductions. A unified theoretical framework highlights the need for catalyst design strategies that selectively stabilize distinct reaction intermediates relative to each other. Science , this issue p. 10.1126/science.aad4998

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Section: Nitrogen Reduction Reactionmentioning

confidence: 99%

Combining theory and experiment in electrocatalysis: Insights into materials design

Seh

Kibsgaard

Dickens

et al. 2017

Science

8,759

6,544

View full text Add to dashboard Cite

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“…Under this condition the free enthalpy change for the formation of NH 4 + and H 2 according to Equation (6) is positive (DG 0 f = 57.6 kcal mol À1 ).…”

mentioning

confidence: 95%

Energetics and Mechanism of a Room‐Temperature Catalytic Process for Ammonia Synthesis (Schrock Cycle): Comparison with Biological Nitrogen Fixation

2005

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The transformation of N2 to 2 NH3 on a MoIII complex containing a sterically shielding triamidoamine ligand is investigated with the help of DFT calculations, providing the energy profile and mechanism of the first truly catalytic process of ammonia synthesis working under ambient conditions and proceeding via well‐defined intermediates (see catalytic cycle). It is shown that ammonia synthesis with this artificial system works with an energy expenditure comparable to that of biological nitrogen fixation.

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“…In this connection it is also relevant to note that there has been several reports on the protolysis of N 2 containing transition metal complexes under strongly reducing conditions. [41][42][43] The possibility that we will discuss in the following is whether a process like the one shown in Fig. 2 is possible directly on a metal surface in particular if extra energy is fed into the reaction electrochemically.…”

Section: Figmentioning

confidence: 99%

Ammonia synthesis at low temperatures

Rod¹,

Logadóttir²,

Nørskov

2000

The Journal of Chemical Physics

227

185

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Density functional theory ͑DFT͒ calculations of reaction paths and energies for the industrial and the biological catalytic ammonia synthesis processes are compared. The industrial catalyst is modeled by a ruthenium surface, while the active part of the enzyme is modeled by a MoFe 6 S 9 complex. In contrast to the biological process, the industrial process requires high temperatures and pressures to proceed, and an explanation of this important difference is discussed. The possibility of a metal surface catalyzed process running at low temperatures and pressures is addressed, and DFT calculations have been carried out to evaluate its feasibility. The calculations suggest that it might be possible to catalytically produce ammonia from molecular nitrogen at low temperatures and pressures, in particular if energy is fed into the process electrochemically.

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Electrosynthesis of ammonia

Cited by 271 publications

References 8 publications

Combining theory and experiment in electrocatalysis: Insights into materials design

Combining theory and experiment in electrocatalysis: Insights into materials design

Energetics and Mechanism of a Room‐Temperature Catalytic Process for Ammonia Synthesis (Schrock Cycle): Comparison with Biological Nitrogen Fixation

Ammonia synthesis at low temperatures

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