A Molecular-Level Mechanism of the Biological N2 Fixation

2019-10-25T20:15:37Z (GMT) by Vanessa Jane Bukas Jens Kehlet Nørskov
We present a detailed molecular-level mechanism for the biological fixation of atmospheric nitrogen into ammonia. The mechanism is based on a series of electronic structure calculations and provides insight into the key question of what it is that the enzyme does to enable selective N2 reduction that cannot be mimicked by simple electrochemical processes.