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

It is observed that there is almost not significant electron accumulation and interaction between N 2 molecule and surface Au atoms under gas- and aqueous-phase environment, as shown in Fig. 9 , confirming the above-mentioned weakly binding N 2 molecule on Au(111) and almost identical N Created by potrace 1.16, written by Peter Selinger 2001-2019 ]]> N bond length compared with isolated N 2 molecule, thus explaining why high barrier is required for initial N 2 reduction.

also in 27 other papers