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The associative alternating and distal mechanisms may be able to parallelly occur. The initial N 2  reduction into N 2 H species is rate determining step, which may be able to be regarded as the origin of high overpotential.

Theoretical insights into the electroreduction mechanism of N2 to NH3 from an improved Au(111)/H2O interface model

Theoretical insights into the electroreduction mechanism of N₂ to NH₃ from an improved Au(111)/H₂O interface model